N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine

C15H24N2 — CID 123879642

IUPACN-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2=CN=CCC=C2)CC1
InChIInChI=1S/C15H24N2/c1-13-6-8-15(9-7-13)17(2)12-14-5-3-4-10-16-11-14/h3,5,10-11,13,15H,4,6-9,12H2,1-2H3
InChIKeySWXLXCLSOZQOLB-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.41
Rot. Bonds3

About N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine

N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 123879642) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID123879642
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2=CN=CCC=C2)CC1
InChIInChI=1S/C15H24N2/c1-13-6-8-15(9-7-13)17(2)12-14-5-3-4-10-16-11-14/h3,5,10-11,13,15H,4,6-9,12H2,1-2H3
InChIKeySWXLXCLSOZQOLB-UHFFFAOYSA-N
XLogP3.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
CID 130459530
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 130459844
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677
ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654679
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692
ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 144654727
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654848
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654864
N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
CID 144734935
ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 144734953

Frequently Asked Questions

What is the IUPAC name of N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine (CID 123879642) is N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)CC2=CN=CCC=C2)CC1.
What is the InChIKey of N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is SWXLXCLSOZQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-6-8-15(9-7-13)17(2)12-14-5-3-4-10-16-11-14/h3,5,10-11,13,15H,4,6-9,12H2,1-2H3.
What are the key properties of N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 123879642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).