2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C12H20N2 — CID 18428592

IUPAC2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(C2=CCCCC2)CCCC1
InChIInChI=1S/C12H20N2/c13-12-9-5-4-8-11(14-12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2,(H2,13,14)
InChIKeyYHIRIKJLOMSTNW-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.79
Rot. Bonds1

About 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 18428592) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID18428592
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(C2=CCCCC2)CCCC1
InChIInChI=1S/C12H20N2/c13-12-9-5-4-8-11(14-12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2,(H2,13,14)
InChIKeyYHIRIKJLOMSTNW-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.79
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

((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine
CID 10012278
4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313313
7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10702801
2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18340016
2-but-3-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 23378577
2-but-1-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54004246
(2R)-2-[(Z)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072761
(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072786
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
(2S)-2-[(Z,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908787
2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908788
(2R)-2-[(E,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908794

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 18428592) is 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is NC1=NC(C2=CCCCC2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is YHIRIKJLOMSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c13-12-9-5-4-8-11(14-12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2,(H2,13,14).
What are the key properties of 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 192.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 18428592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).