(4E)-N-butyldeca-4,9-dien-2-amine

C14H27N — CID 5369244

IUPAC(4E)-N-butyldeca-4,9-dien-2-amine
SMILESC=CCCC/C=C/CC(C)NCCCC
InChIInChI=1S/C14H27N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,10-11,14-15H,1,5-9,12-13H2,2-3H3/b11-10+
InChIKeyMKVOGFCGDWJDOY-ZHACJKMWSA-N
MW209.38 g/mol
LogP4.07
Rot. Bonds10

About (4E)-N-butyldeca-4,9-dien-2-amine

(4E)-N-butyldeca-4,9-dien-2-amine (PubChem CID 5369244) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (4E)-N-butyldeca-4,9-dien-2-amine.

Molecular Properties

Compound Name(4E)-N-butyldeca-4,9-dien-2-amine
PubChem CID5369244
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(4E)-N-butyldeca-4,9-dien-2-amine
SMILESC=CCCC/C=C/CC(C)NCCCC
InChIInChI=1S/C14H27N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,10-11,14-15H,1,5-9,12-13H2,2-3H3/b11-10+
InChIKeyMKVOGFCGDWJDOY-ZHACJKMWSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-butyldeca-4,9-dien-2-amine?
The IUPAC name of (4E)-N-butyldeca-4,9-dien-2-amine (CID 5369244) is (4E)-N-butyldeca-4,9-dien-2-amine.
What is the SMILES notation for (4E)-N-butyldeca-4,9-dien-2-amine?
The canonical SMILES for (4E)-N-butyldeca-4,9-dien-2-amine is C=CCCC/C=C/CC(C)NCCCC.
What is the InChIKey of (4E)-N-butyldeca-4,9-dien-2-amine?
The InChIKey is MKVOGFCGDWJDOY-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H27N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,10-11,14-15H,1,5-9,12-13H2,2-3H3/b11-10+.
What are the key properties of (4E)-N-butyldeca-4,9-dien-2-amine?
(4E)-N-butyldeca-4,9-dien-2-amine has a molecular weight of 209.38 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-butyldeca-4,9-dien-2-amine is sourced from PubChem (CID 5369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).