N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine

C15H30N2O — CID 65076450

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
SMILESCN(C)C1(CNC2CCCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(9-4-3-5-10-15)13-16-14-7-6-11-18-12-8-14/h14,16H,3-13H2,1-2H3
InChIKeyFWZYZEWCSIULDZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine (PubChem CID 65076450) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
PubChem CID65076450
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
SMILESCN(C)C1(CNC2CCCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(9-4-3-5-10-15)13-16-14-7-6-11-18-12-8-14/h14,16H,3-13H2,1-2H3
InChIKeyFWZYZEWCSIULDZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine (CID 65076450) is N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine is CN(C)C1(CNC2CCCOCC2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine?
The InChIKey is FWZYZEWCSIULDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(2)15(9-4-3-5-10-15)13-16-14-7-6-11-18-12-8-14/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine is sourced from PubChem (CID 65076450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).