(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine

C14H26N2 — CID 16743725

IUPAC(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine
SMILESCCCC/N=C/C(C)=C/C=C/N(CC)CC
InChIInChI=1S/C14H26N2/c1-5-8-11-15-13-14(4)10-9-12-16(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3/b12-9+,14-10+,15-13+
InChIKeySPYMJJLPBUDCFD-VAFMTKEXSA-N
MW222.38 g/mol
LogP3.66
Rot. Bonds8

About (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine

(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine (PubChem CID 16743725) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine
PubChem CID16743725
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine
SMILESCCCC/N=C/C(C)=C/C=C/N(CC)CC
InChIInChI=1S/C14H26N2/c1-5-8-11-15-13-14(4)10-9-12-16(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3/b12-9+,14-10+,15-13+
InChIKeySPYMJJLPBUDCFD-VAFMTKEXSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine (CID 16743725) is (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine is CCCC/N=C/C(C)=C/C=C/N(CC)CC.
What is the InChIKey of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine?
The InChIKey is SPYMJJLPBUDCFD-VAFMTKEXSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-8-11-15-13-14(4)10-9-12-16(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3/b12-9+,14-10+,15-13+.
What are the key properties of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine?
(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 16743725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).