4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C18H36N2 — CID 102627783

IUPAC4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC(C)CCN(CC1CCC(N)C(C)C1(C)C)C1CC1
InChIInChI=1S/C18H36N2/c1-13(2)10-11-20(16-7-8-16)12-15-6-9-17(19)14(3)18(15,4)5/h13-17H,6-12,19H2,1-5H3
InChIKeyYNNNCKFZJGBMOZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds6

About 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627783) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627783
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC(C)CCN(CC1CCC(N)C(C)C1(C)C)C1CC1
InChIInChI=1S/C18H36N2/c1-13(2)10-11-20(16-7-8-16)12-15-6-9-17(19)14(3)18(15,4)5/h13-17H,6-12,19H2,1-5H3
InChIKeyYNNNCKFZJGBMOZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 78991236
4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627942
4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627905
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627783) is 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC(C)CCN(CC1CCC(N)C(C)C1(C)C)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is YNNNCKFZJGBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-13(2)10-11-20(16-7-8-16)12-15-6-9-17(19)14(3)18(15,4)5/h13-17H,6-12,19H2,1-5H3.
What are the key properties of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).