N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine

C16H33N — CID 91167158

IUPACN-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine
SMILESC=C(CCC)CC(CCCCNC)CC(C)C
InChIInChI=1S/C16H33N/c1-6-9-15(4)13-16(12-14(2)3)10-7-8-11-17-5/h14,16-17H,4,6-13H2,1-3,5H3
InChIKeyQEZSXHUQNCHXDZ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.78
Rot. Bonds11

About N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine

N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine (PubChem CID 91167158) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine.

Molecular Properties

Compound NameN-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine
PubChem CID91167158
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine
SMILESC=C(CCC)CC(CCCCNC)CC(C)C
InChIInChI=1S/C16H33N/c1-6-9-15(4)13-16(12-14(2)3)10-7-8-11-17-5/h14,16-17H,4,6-13H2,1-3,5H3
InChIKeyQEZSXHUQNCHXDZ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-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 N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine?
The IUPAC name of N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine (CID 91167158) is N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine.
What is the SMILES notation for N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine?
The canonical SMILES for N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine is C=C(CCC)CC(CCCCNC)CC(C)C.
What is the InChIKey of N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine?
The InChIKey is QEZSXHUQNCHXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-9-15(4)13-16(12-14(2)3)10-7-8-11-17-5/h14,16-17H,4,6-13H2,1-3,5H3.
What are the key properties of N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine?
N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine is sourced from PubChem (CID 91167158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).