3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine

C16H33N — CID 123270832

IUPAC3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine
SMILESCC=C(C)CNC(C)C(C)CCCC(C)CC
InChIInChI=1S/C16H33N/c1-7-13(3)10-9-11-15(5)16(6)17-12-14(4)8-2/h8,13,15-17H,7,9-12H2,1-6H3
InChIKeyMZLVNBJNBOHQDI-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.78
Rot. Bonds9

About 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine

3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine (PubChem CID 123270832) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine
PubChem CID123270832
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine
SMILESCC=C(C)CNC(C)C(C)CCCC(C)CC
InChIInChI=1S/C16H33N/c1-7-13(3)10-9-11-15(5)16(6)17-12-14(4)8-2/h8,13,15-17H,7,9-12H2,1-6H3
InChIKeyMZLVNBJNBOHQDI-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine?
The IUPAC name of 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine (CID 123270832) is 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine.
What is the SMILES notation for 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine?
The canonical SMILES for 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine is CC=C(C)CNC(C)C(C)CCCC(C)CC.
What is the InChIKey of 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine?
The InChIKey is MZLVNBJNBOHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-13(3)10-9-11-15(5)16(6)17-12-14(4)8-2/h8,13,15-17H,7,9-12H2,1-6H3.
What are the key properties of 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine?
3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(2-methylbut-2-enyl)nonan-2-amine is sourced from PubChem (CID 123270832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).