N-(2-methylpropyl)deca-1,3,5-trien-1-amine

C14H25N — CID 138986911

IUPACN-(2-methylpropyl)deca-1,3,5-trien-1-amine
SMILESCCCCC=CC=CC=CNCC(C)C
InChIInChI=1S/C14H25N/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyVCFUJQSDZFFBMM-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.05
Rot. Bonds8

About N-(2-methylpropyl)deca-1,3,5-trien-1-amine

N-(2-methylpropyl)deca-1,3,5-trien-1-amine (PubChem CID 138986911) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-methylpropyl)deca-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)deca-1,3,5-trien-1-amine
PubChem CID138986911
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(2-methylpropyl)deca-1,3,5-trien-1-amine
SMILESCCCCC=CC=CC=CNCC(C)C
InChIInChI=1S/C14H25N/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyVCFUJQSDZFFBMM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)deca-1,3,5-trien-1-amine?
The IUPAC name of N-(2-methylpropyl)deca-1,3,5-trien-1-amine (CID 138986911) is N-(2-methylpropyl)deca-1,3,5-trien-1-amine.
What is the SMILES notation for N-(2-methylpropyl)deca-1,3,5-trien-1-amine?
The canonical SMILES for N-(2-methylpropyl)deca-1,3,5-trien-1-amine is CCCCC=CC=CC=CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)deca-1,3,5-trien-1-amine?
The InChIKey is VCFUJQSDZFFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-6-7-8-9-10-11-12-15-13-14(2)3/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of N-(2-methylpropyl)deca-1,3,5-trien-1-amine?
N-(2-methylpropyl)deca-1,3,5-trien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)deca-1,3,5-trien-1-amine is sourced from PubChem (CID 138986911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).