3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine

C16H33N3 — CID 62996489

IUPAC3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
SMILESCCC(C)C(CN)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-14(2)16(12-17)19-10-6-15(7-11-19)13-18-8-4-5-9-18/h14-16H,3-13,17H2,1-2H3
InChIKeyBLUBFFMYERCWLE-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds6

About 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine

3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine (PubChem CID 62996489) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
PubChem CID62996489
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
SMILESCCC(C)C(CN)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-14(2)16(12-17)19-10-6-15(7-11-19)13-18-8-4-5-9-18/h14-16H,3-13,17H2,1-2H3
InChIKeyBLUBFFMYERCWLE-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-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

Related Compounds

1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
3-Methyl-1-(piperidin-1-yl)butan-2-amine
CID 43199751
1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine
CID 68080074
rac-(3aR,7aS)-1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine hydrochloride
CID 92844998
3-Isopropyloctahydropyrrolo[1,2-a]pyrazine
CID 71669028
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
3-Methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 16791955
3-Ethyl-2-(pyrrolidin-1-yl)pentan-1-amine
CID 42933680
6-Methyloctahydro-1H-pyrrolo[2,3-c]pyridine
CID 59170780
4-(2-Fluoroethyl)-1-propan-2-ylpiperidin-3-amine
CID 142901132
1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 149156472
1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298849

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The IUPAC name of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine (CID 62996489) is 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The canonical SMILES for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine is CCC(C)C(CN)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
The InChIKey is BLUBFFMYERCWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-14(2)16(12-17)19-10-6-15(7-11-19)13-18-8-4-5-9-18/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine?
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine is sourced from PubChem (CID 62996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).