N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine

C11H22N2 — CID 107442737

IUPACN'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1CC=CC1
InChIInChI=1S/C11H22N2/c1-9(2)10(7-12)8-13-11-5-3-4-6-11/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyRLJWXWAGNZBFBT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.53
Rot. Bonds5

About N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine

N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442737) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442737
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1CC=CC1
InChIInChI=1S/C11H22N2/c1-9(2)10(7-12)8-13-11-5-3-4-6-11/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyRLJWXWAGNZBFBT-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine 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

N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
(2S)-1-(cyclopent-3-en-1-ylamino)propan-2-ol
CID 106932543
2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 107441426
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441997
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932
N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
CID 107442722
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377

Frequently Asked Questions

What is the IUPAC name of N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine (CID 107442737) is N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNC1CC=CC1.
What is the InChIKey of N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is RLJWXWAGNZBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)10(7-12)8-13-11-5-3-4-6-11/h3-4,9-11,13H,5-8,12H2,1-2H3.
What are the key properties of N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine?
N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).