N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

C14H29N3 — CID 62069634

IUPACN-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-11-17(12-10-16)8-4-7-15-13-14-5-2-3-6-14/h14-15H,2-13H2,1H3
InChIKeyLEUCPIKUHYRBIX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds6

About N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 62069634) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID62069634
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-11-17(12-10-16)8-4-7-15-13-14-5-2-3-6-14/h14-15H,2-13H2,1H3
InChIKeyLEUCPIKUHYRBIX-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)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

3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63003319
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
4-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532798
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 62069634) is N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCNCC2CCCC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is LEUCPIKUHYRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-11-17(12-10-16)8-4-7-15-13-14-5-2-3-6-14/h14-15H,2-13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62069634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).