N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine

C16H30N2 — CID 65073738

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C16H30N2/c1-2-11-18-12-6-9-16(10-13-18)17-14-15-7-4-3-5-8-15/h3-4,15-17H,2,5-14H2,1H3
InChIKeyZMYUNHLQKRHXFJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine (PubChem CID 65073738) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
PubChem CID65073738
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C16H30N2/c1-2-11-18-12-6-9-16(10-13-18)17-14-15-7-4-3-5-8-15/h3-4,15-17H,2,5-14H2,1H3
InChIKeyZMYUNHLQKRHXFJ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1-propylazepan-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine (CID 65073738) is N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine is CCCN1CCCC(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine?
The InChIKey is ZMYUNHLQKRHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-11-18-12-6-9-16(10-13-18)17-14-15-7-4-3-5-8-15/h3-4,15-17H,2,5-14H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65073738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).