4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

C17H36N2 — CID 63493449

IUPAC4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CCC
InChIInChI=1S/C17H36N2/c1-6-8-15(4)19(5)13-16-12-14(3)9-10-17(16)18-11-7-2/h14-18H,6-13H2,1-5H3
InChIKeyMOIKHACJZRGGKJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine

4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 63493449) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID63493449
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)C(C)CCC
InChIInChI=1S/C17H36N2/c1-6-8-15(4)19(5)13-16-12-14(3)9-10-17(16)18-11-7-2/h14-18H,6-13H2,1-5H3
InChIKeyMOIKHACJZRGGKJ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
1-methoxy-3-[methyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]propan-2-ol
CID 62610370
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
CID 63865613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine (CID 63493449) is 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)C(C)CCC.
What is the InChIKey of 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is MOIKHACJZRGGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-8-15(4)19(5)13-16-12-14(3)9-10-17(16)18-11-7-2/h14-18H,6-13H2,1-5H3.
What are the key properties of 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63493449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).