N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C14H26N2 — CID 79507725

IUPACN-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCCC1CNC1=NCCCCC1
InChIInChI=1S/C14H26N2/c1-12-7-4-5-8-13(12)11-16-14-9-3-2-6-10-15-14/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeySFDZTKGPTZQGLV-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.37
Rot. Bonds2

About N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 79507725) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID79507725
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCCCC1CNC1=NCCCCC1
InChIInChI=1S/C14H26N2/c1-12-7-4-5-8-13(12)11-16-14-9-3-2-6-10-15-14/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeySFDZTKGPTZQGLV-UHFFFAOYSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 79507725) is N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CCCCC1CNC1=NCCCCC1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is SFDZTKGPTZQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-7-4-5-8-13(12)11-16-14-9-3-2-6-10-15-14/h12-13H,2-11H2,1H3,(H,15,16).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 222.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 79507725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).