N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine

C17H32N2 — CID 65072748

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H32N2/c1-15(2)19-13-6-9-17(11-14-19)18-12-10-16-7-4-3-5-8-16/h7,15,17-18H,3-6,8-14H2,1-2H3
InChIKeyROAQSDSRAHUXOR-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65072748) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
PubChem CID65072748
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H32N2/c1-15(2)19-13-6-9-17(11-14-19)18-12-10-16-7-4-3-5-8-16/h7,15,17-18H,3-6,8-14H2,1-2H3
InChIKeyROAQSDSRAHUXOR-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine
CID 43308101
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine (CID 65072748) is N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is ROAQSDSRAHUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15(2)19-13-6-9-17(11-14-19)18-12-10-16-7-4-3-5-8-16/h7,15,17-18H,3-6,8-14H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).