4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine

C18H38N2 — CID 79490016

IUPAC4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
SMILESCCC(CC)N(CC(C)C)CC1CC(C)(C)CCC1N
InChIInChI=1S/C18H38N2/c1-7-16(8-2)20(12-14(3)4)13-15-11-18(5,6)10-9-17(15)19/h14-17H,7-13,19H2,1-6H3
InChIKeyQQSZKVXOZMTVEM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds7

About 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine

4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 79490016) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
PubChem CID79490016
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
SMILESCCC(CC)N(CC(C)C)CC1CC(C)(C)CCC1N
InChIInChI=1S/C18H38N2/c1-7-16(8-2)20(12-14(3)4)13-15-11-18(5,6)10-9-17(15)19/h14-17H,7-13,19H2,1-6H3
InChIKeyQQSZKVXOZMTVEM-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine (CID 79490016) is 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine is CCC(CC)N(CC(C)C)CC1CC(C)(C)CCC1N.
What is the InChIKey of 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is QQSZKVXOZMTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-16(8-2)20(12-14(3)4)13-15-11-18(5,6)10-9-17(15)19/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine?
4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79490016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).