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

C15H30N2O — CID 63725587

IUPAC1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)CC1CCCOC1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13,12-16)17(2)10-14-7-5-9-18-11-14/h13-14H,3-12,16H2,1-2H3
InChIKeyCOQMCGRJGMAFIR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

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

1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 63725587) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
PubChem CID63725587
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)CC1CCCOC1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13,12-16)17(2)10-14-7-5-9-18-11-14/h13-14H,3-12,16H2,1-2H3
InChIKeyCOQMCGRJGMAFIR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
CID 63726971
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 115453877
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65045165
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63726456
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (CID 63725587) is 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is CC1CCCCC1(CN)N(C)CC1CCCOC1.
What is the InChIKey of 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is COQMCGRJGMAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13,12-16)17(2)10-14-7-5-9-18-11-14/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63725587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).