1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C15H30N2O — CID 61431336

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC2CCCCO2)C1
InChIInChI=1S/C15H30N2O/c1-13-6-5-8-15(10-13,12-16)17(2)11-14-7-3-4-9-18-14/h13-14H,3-12,16H2,1-2H3
InChIKeyIUXOUKWOYQMVNF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds4

About 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 61431336) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID61431336
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC2CCCCO2)C1
InChIInChI=1S/C15H30N2O/c1-13-6-5-8-15(10-13,12-16)17(2)11-14-7-3-4-9-18-14/h13-14H,3-12,16H2,1-2H3
InChIKeyIUXOUKWOYQMVNF-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246691
1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 106821874
8-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)spiro[4.5]decan-8-amine
CID 114818074
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 54983122
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
1-(aminomethyl)-N,3-dimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 64500110
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588440
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 61431336) is 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CC1CCCC(CN)(N(C)CC2CCCCO2)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is IUXOUKWOYQMVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-6-5-8-15(10-13,12-16)17(2)11-14-7-3-4-9-18-14/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61431336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).