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

C14H27ClN2 — CID 16743724

IUPAC(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride
SMILESCCCC/N=C/C(C)=C/C=C/N(CC)CC.Cl
InChIInChI=1S/C14H26N2.ClH/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;1H/b12-9+,14-10+,15-13+;
InChIKeyJRRNZLRYVJZLPT-CGSMAHNDSA-N
MW258.84 g/mol
LogP4.08
Rot. Bonds8

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

(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride (PubChem CID 16743724) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride
PubChem CID16743724
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride
SMILESCCCC/N=C/C(C)=C/C=C/N(CC)CC.Cl
InChIInChI=1S/C14H26N2.ClH/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;1H/b12-9+,14-10+,15-13+;
InChIKeyJRRNZLRYVJZLPT-CGSMAHNDSA-N
XLogP4.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 54.08
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;hydrochloride?
The IUPAC name of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride (CID 16743724) is (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride.
What is the SMILES notation for (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride?
The canonical SMILES for (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride is CCCC/N=C/C(C)=C/C=C/N(CC)CC.Cl.
What is the InChIKey of (1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride?
The InChIKey is JRRNZLRYVJZLPT-CGSMAHNDSA-N. The full InChI is InChI=1S/C14H26N2.ClH/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;1H/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;hydrochloride?
(1E,3E)-5-butylimino-N,N-diethyl-4-methylpenta-1,3-dien-1-amine;hydrochloride has a molecular weight of 258.84 g/mol, XLogP of 4.08, 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;hydrochloride is sourced from PubChem (CID 16743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).