2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine

C18H39N — CID 88707332

IUPAC2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine
SMILESCC(C)CC(C)C(C)CC(CN)C(C)CC(C)(C)C
InChIInChI=1S/C18H39N/c1-13(2)9-14(3)15(4)10-17(12-19)16(5)11-18(6,7)8/h13-17H,9-12,19H2,1-8H3
InChIKeyQFHVPAWBWMIEOU-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.34
Rot. Bonds8

About 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine

2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine (PubChem CID 88707332) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine
PubChem CID88707332
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine
SMILESCC(C)CC(C)C(C)CC(CN)C(C)CC(C)(C)C
InChIInChI=1S/C18H39N/c1-13(2)9-14(3)15(4)10-17(12-19)16(5)11-18(6,7)8/h13-17H,9-12,19H2,1-8H3
InChIKeyQFHVPAWBWMIEOU-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tridecylamine, branched and linear
CID 22833454
16-Dimethylheptadecan-1-amine
CID 111882
2-Decyltetradecan-1-amine
CID 11035605
2-Hexyldecan-1-amine
CID 15335006
2-Butyl-n-octan-1-amine
CID 18673284
2-n-Octyl-1-dodecylamine
CID 18761999
2-Cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-Propylheptan-1-amine
CID 21267775
2,2-Dimethylcyclohexanemethanamine
CID 22484483
4-Tert-butylcycloheptan-1-amine
CID 53659905
3,7-Dimethyloctan-1-amine
CID 13492945
2-Pentylnonan-1-amine
CID 14344819

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine?
The IUPAC name of 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine (CID 88707332) is 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine is CC(C)CC(C)C(C)CC(CN)C(C)CC(C)(C)C.
What is the InChIKey of 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine?
The InChIKey is QFHVPAWBWMIEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-13(2)9-14(3)15(4)10-17(12-19)16(5)11-18(6,7)8/h13-17H,9-12,19H2,1-8H3.
What are the key properties of 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine?
2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentan-2-yl)-4,5,7-trimethyloctan-1-amine is sourced from PubChem (CID 88707332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).