N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine

C47H105N11 — CID 160915497

IUPACN,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine
SMILESCC1CCCCN1CCCN.CC1CCCN1CCN.CCN1CCC(C)CC1.CCN1CCCC1CN.CN(C)CCCN1CCCC1.NCCCN1CCCC1
InChIInChI=1S/2C9H20N2.C8H17N.3C7H16N2/c1-10(2)6-5-9-11-7-3-4-8-11;1-9-5-2-3-7-11(9)8-4-6-10;1-3-9-6-4-8(2)5-7-9;1-7-3-2-5-9(7)6-4-8;1-2-9-5-3-4-7(9)6-8;8-4-3-7-9-5-1-2-6-9/h3-9H2,1-2H3;9H,2-8,10H2,1H3;8H,3-7H2,1-2H3;2*7H,2-6,8H2,1H3;1-8H2
InChIKeySRIRGYPMWPPZCY-UHFFFAOYSA-N
MW824.43 g/mol
LogP5.27
Rot. Bonds15

About N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine

N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 160915497) has the molecular formula C47H105N11 and a molecular weight of 824.43 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine
PubChem CID160915497
Molecular FormulaC47H105N11
Molecular Weight824.43 g/mol
Exact Mass823.86
IUPAC NameN,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine
SMILESCC1CCCCN1CCCN.CC1CCCN1CCN.CCN1CCC(C)CC1.CCN1CCCC1CN.CN(C)CCCN1CCCC1.NCCCN1CCCC1
InChIInChI=1S/2C9H20N2.C8H17N.3C7H16N2/c1-10(2)6-5-9-11-7-3-4-8-11;1-9-5-2-3-7-11(9)8-4-6-10;1-3-9-6-4-8(2)5-7-9;1-7-3-2-5-9(7)6-4-8;1-2-9-5-3-4-7(9)6-8;8-4-3-7-9-5-1-2-6-9/h3-9H2,1-2H3;9H,2-8,10H2,1H3;8H,3-7H2,1-2H3;2*7H,2-6,8H2,1H3;1-8H2
InChIKeySRIRGYPMWPPZCY-UHFFFAOYSA-N
XLogP5.27
TPSA126.76 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.43
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine (CID 160915497) is N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine is CC1CCCCN1CCCN.CC1CCCN1CCN.CCN1CCC(C)CC1.CCN1CCCC1CN.CN(C)CCCN1CCCC1.NCCCN1CCCC1.
What is the InChIKey of N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is SRIRGYPMWPPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2.C8H17N.3C7H16N2/c1-10(2)6-5-9-11-7-3-4-8-11;1-9-5-2-3-7-11(9)8-4-6-10;1-3-9-6-4-8(2)5-7-9;1-7-3-2-5-9(7)6-4-8;1-2-9-5-3-4-7(9)6-8;8-4-3-7-9-5-1-2-6-9/h3-9H2,1-2H3;9H,2-8,10H2,1H3;8H,3-7H2,1-2H3;2*7H,2-6,8H2,1H3;1-8H2.
What are the key properties of N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine?
N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 824.43 g/mol, XLogP of 5.27, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 160915497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).