N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine

C15H24N2 — CID 123814136

IUPACN-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2=NC=CCC=C2)CC1
InChIInChI=1S/C15H24N2/c1-13-7-9-15(10-8-13)17(2)12-14-6-4-3-5-11-16-14/h4-6,11,13,15H,3,7-10,12H2,1-2H3
InChIKeyBRHFAAAGELTJKI-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.41
Rot. Bonds3

About N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine

N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 123814136) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID123814136
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2=NC=CCC=C2)CC1
InChIInChI=1S/C15H24N2/c1-13-7-9-15(10-8-13)17(2)12-14-6-4-3-5-11-16-14/h4-6,11,13,15H,3,7-10,12H2,1-2H3
InChIKeyBRHFAAAGELTJKI-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

1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
CID 123377160
N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
CID 129034333
N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
CID 130459547
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane
CID 144654671
ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654681
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654738
ethane;4-ethyl-N-methyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
CID 144654743
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine
CID 144654866
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654877
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane;2-methylpropane
CID 144734987
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine
CID 144735001
4-ethyl-N-methyl-N-[1-(4-propan-2-yl-4H-azepin-7-yl)ethyl]cyclohexan-1-amine
CID 144778791

Frequently Asked Questions

What is the IUPAC name of N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine (CID 123814136) is N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)CC2=NC=CCC=C2)CC1.
What is the InChIKey of N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is BRHFAAAGELTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-7-9-15(10-8-13)17(2)12-14-6-4-3-5-11-16-14/h4-6,11,13,15H,3,7-10,12H2,1-2H3.
What are the key properties of N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
N-(4H-azepin-7-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-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 123814136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).