N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine

C15H30N2O — CID 62973886

IUPACN,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-12-5-6-15(16-3)14(9-12)11-17-7-4-8-18-13(2)10-17/h12-16H,4-11H2,1-3H3
InChIKeyJRJGEKOGMDVXDH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds3

About N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine

N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62973886) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
PubChem CID62973886
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-12-5-6-15(16-3)14(9-12)11-17-7-4-8-18-13(2)10-17/h12-16H,4-11H2,1-3H3
InChIKeyJRJGEKOGMDVXDH-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 62614705
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62973885
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616797
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 55140178

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine (CID 62973886) is N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine is CNC1CCC(C)CC1CN1CCCOC(C)C1.
What is the InChIKey of N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is JRJGEKOGMDVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-5-6-15(16-3)14(9-12)11-17-7-4-8-18-13(2)10-17/h12-16H,4-11H2,1-3H3.
What are the key properties of N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine?
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62973886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).