N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine

C15H30N2O — CID 115213705

IUPACN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-15-5-3-13(4-6-15)11-17(2)12-14-7-9-18-10-8-14/h13-16H,3-12H2,1-2H3
InChIKeyPKYUYQKHLYOBHN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine

N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 115213705) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID115213705
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-15-5-3-13(4-6-15)11-17(2)12-14-7-9-18-10-8-14/h13-16H,3-12H2,1-2H3
InChIKeyPKYUYQKHLYOBHN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
CID 155624811
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 115213705) is N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine is CNC1CCC(CN(C)CC2CCOCC2)CC1.
What is the InChIKey of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is PKYUYQKHLYOBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-16-15-5-3-13(4-6-15)11-17(2)12-14-7-9-18-10-8-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).