N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine

C13H29N3 — CID 114526027

IUPACN,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
SMILESCNCCC1CCN(CCCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-14-8-5-13-6-11-16(12-7-13)10-4-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyJWZXOOLGHWJISV-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds7

About N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine

N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine (PubChem CID 114526027) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
PubChem CID114526027
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
SMILESCNCCC1CCN(CCCN(C)C)CC1
InChIInChI=1S/C13H29N3/c1-14-8-5-13-6-11-16(12-7-13)10-4-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyJWZXOOLGHWJISV-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114800653
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966696
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine (CID 114526027) is N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine is CNCCC1CCN(CCCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine?
The InChIKey is JWZXOOLGHWJISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-14-8-5-13-6-11-16(12-7-13)10-4-9-15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine?
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 114526027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).