N-(cyclohex-3-en-1-ylmethyl)propan-1-amine

C10H19N — CID 43180483

IUPACN-(cyclohex-3-en-1-ylmethyl)propan-1-amine
SMILESCCCNCC1CC=CCC1
InChIInChI=1S/C10H19N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-4,10-11H,2,5-9H2,1H3
InChIKeyPWRGMUHLZQDAMR-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)propan-1-amine

N-(cyclohex-3-en-1-ylmethyl)propan-1-amine (PubChem CID 43180483) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)propan-1-amine
PubChem CID43180483
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)propan-1-amine
SMILESCCCNCC1CC=CCC1
InChIInChI=1S/C10H19N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-4,10-11H,2,5-9H2,1H3
InChIKeyPWRGMUHLZQDAMR-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)propan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)propan-1-amine (CID 43180483) is N-(cyclohex-3-en-1-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)propan-1-amine is CCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)propan-1-amine?
The InChIKey is PWRGMUHLZQDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-4,10-11H,2,5-9H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)propan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)propan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)propan-1-amine is sourced from PubChem (CID 43180483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).