4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine

C21H43N — CID 126692502

IUPAC4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
SMILESC=C(CC(C)C)NC(C)CC(C)(C)CC(C)C(C)(C)C(C)C
InChIInChI=1S/C21H43N/c1-15(2)12-18(6)22-19(7)14-20(8,9)13-17(5)21(10,11)16(3)4/h15-17,19,22H,6,12-14H2,1-5,7-11H3
InChIKeyZHVKKZABYWYQHM-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.65
Rot. Bonds10

About 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine

4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine (PubChem CID 126692502) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine.

Molecular Properties

Compound Name4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
PubChem CID126692502
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
SMILESC=C(CC(C)C)NC(C)CC(C)(C)CC(C)C(C)(C)C(C)C
InChIInChI=1S/C21H43N/c1-15(2)12-18(6)22-19(7)14-20(8,9)13-17(5)21(10,11)16(3)4/h15-17,19,22H,6,12-14H2,1-5,7-11H3
InChIKeyZHVKKZABYWYQHM-UHFFFAOYSA-N
XLogP6.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine?
The IUPAC name of 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine (CID 126692502) is 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine.
What is the SMILES notation for 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine?
The canonical SMILES for 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine is C=C(CC(C)C)NC(C)CC(C)(C)CC(C)C(C)(C)C(C)C.
What is the InChIKey of 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine?
The InChIKey is ZHVKKZABYWYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-15(2)12-18(6)22-19(7)14-20(8,9)13-17(5)21(10,11)16(3)4/h15-17,19,22H,6,12-14H2,1-5,7-11H3.
What are the key properties of 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine?
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 6.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine is sourced from PubChem (CID 126692502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).