4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine

C19H38N2 — CID 63494785

IUPAC4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C1CCCC(C)C1
InChIInChI=1S/C19H38N2/c1-5-11-20-19-10-9-16(3)12-17(19)14-21(4)18-8-6-7-15(2)13-18/h15-20H,5-14H2,1-4H3
InChIKeyHTHIPBYBBOILCG-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine

4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 63494785) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID63494785
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C1CCCC(C)C1
InChIInChI=1S/C19H38N2/c1-5-11-20-19-10-9-16(3)12-17(19)14-21(4)18-8-6-7-15(2)13-18/h15-20H,5-14H2,1-4H3
InChIKeyHTHIPBYBBOILCG-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256771
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370
N,1-dimethyl-N-[[2-(propylamino)cyclopentyl]methyl]piperidin-3-amine
CID 55094812

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 63494785) is 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)C1CCCC(C)C1.
What is the InChIKey of 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is HTHIPBYBBOILCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-11-20-19-10-9-16(3)12-17(19)14-21(4)18-8-6-7-15(2)13-18/h15-20H,5-14H2,1-4H3.
What are the key properties of 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63494785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).