N-but-3-enylcyclohexanamine

C10H19N — CID 3252108

IUPACN-but-3-enylcyclohexanamine
SMILESC=CCCNC1CCCCC1
InChIInChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10-11H,1,3-9H2
InChIKeyHTKLBKAOCCPEJM-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds4

About N-but-3-enylcyclohexanamine

N-but-3-enylcyclohexanamine (PubChem CID 3252108) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-but-3-enylcyclohexanamine.

Molecular Properties

Compound NameN-but-3-enylcyclohexanamine
PubChem CID3252108
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-but-3-enylcyclohexanamine
SMILESC=CCCNC1CCCCC1
InChIInChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10-11H,1,3-9H2
InChIKeyHTKLBKAOCCPEJM-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-but-3-enylcyclohexanamine 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-Allylcyclohexylamine
CID 81115
2-(Prop-2-en-1-yl)piperidine hydrochloride
CID 76447862
2-Allylpiperidine
CID 10510857
trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine
CID 135021206
Piperidine, 2-(2-propenyl)-, (S)-(9CI)
CID 10997029
2-Propylamino-5-hexene
CID 12541939
trans-2,6-Diallylpiperidine
CID 12967356
N-[(3E)-hexa-3,5-dienyl]cyclohexanamine
CID 59529053
2,6-Bis(prop-2-enyl)piperidine
CID 66741480
N-but-3-enyl-4,4-difluorocyclohexan-1-amine
CID 169136884
N-(4-fluoropent-4-enyl)cyclohexanamine
CID 169662028
4,4-difluoro-N-hex-5-enylcyclohexan-1-amine
CID 176410461

Frequently Asked Questions

What is the IUPAC name of N-but-3-enylcyclohexanamine?
The IUPAC name of N-but-3-enylcyclohexanamine (CID 3252108) is N-but-3-enylcyclohexanamine.
What is the SMILES notation for N-but-3-enylcyclohexanamine?
The canonical SMILES for N-but-3-enylcyclohexanamine is C=CCCNC1CCCCC1.
What is the InChIKey of N-but-3-enylcyclohexanamine?
The InChIKey is HTKLBKAOCCPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10-11H,1,3-9H2.
What are the key properties of N-but-3-enylcyclohexanamine?
N-but-3-enylcyclohexanamine has a molecular weight of 153.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylcyclohexanamine is sourced from PubChem (CID 3252108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).