2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine

C17H35N3 — CID 62579879

IUPAC2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1CCCN1CCCC1
InChIInChI=1S/C17H35N3/c1-16(2)14-18-15-17-8-3-4-12-20(17)13-7-11-19-9-5-6-10-19/h16-18H,3-15H2,1-2H3
InChIKeyWFEFWWXPULJJBJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds8

About 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 62579879) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID62579879
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1CCCN1CCCC1
InChIInChI=1S/C17H35N3/c1-16(2)14-18-15-17-8-3-4-12-20(17)13-7-11-19-9-5-6-10-19/h16-18H,3-15H2,1-2H3
InChIKeyWFEFWWXPULJJBJ-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-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

2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 113473678
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine (CID 62579879) is 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCCCN1CCCN1CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is WFEFWWXPULJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)14-18-15-17-8-3-4-12-20(17)13-7-11-19-9-5-6-10-19/h16-18H,3-15H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62579879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).