2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine

C15H31N3 — CID 114087578

IUPAC2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCCN(C)CC1C
InChIInChI=1S/C15H31N3/c1-13-11-17(3)9-6-10-18(13)12-14-7-4-5-8-15(14)16-2/h13-16H,4-12H2,1-3H3
InChIKeyWBYQNJVDOBNRBV-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds3

About 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine

2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 114087578) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID114087578
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCCN(C)CC1C
InChIInChI=1S/C15H31N3/c1-13-11-17(3)9-6-10-18(13)12-14-7-4-5-8-15(14)16-2/h13-16H,4-12H2,1-3H3
InChIKeyWBYQNJVDOBNRBV-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine (CID 114087578) is 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CN1CCCN(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is WBYQNJVDOBNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-11-17(3)9-6-10-18(13)12-14-7-4-5-8-15(14)16-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine?
2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).