4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine

C15H30N2O — CID 65079445

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
SMILESCC1CCCCC1N(C)C1(CN)CCCOCC1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-7-14(13)17(2)15(12-16)8-5-10-18-11-9-15/h13-14H,3-12,16H2,1-2H3
InChIKeyZNYNWDCCBLUZFV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine (PubChem CID 65079445) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
PubChem CID65079445
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
SMILESCC1CCCCC1N(C)C1(CN)CCCOCC1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-7-14(13)17(2)15(12-16)8-5-10-18-11-9-15/h13-14H,3-12,16H2,1-2H3
InChIKeyZNYNWDCCBLUZFV-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
CID 164650876
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 103562769
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine (CID 65079445) is 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine is CC1CCCCC1N(C)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine?
The InChIKey is ZNYNWDCCBLUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-6-3-4-7-14(13)17(2)15(12-16)8-5-10-18-11-9-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine is sourced from PubChem (CID 65079445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).