(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride

C19H35ClN2 — CID 24787453

IUPAC(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride
SMILESC=CCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl
InChIInChI=1S/C19H34N2.ClH/c1-7-10-11-12-14-18(17-20-19(4,5)6)15-13-16-21(8-2)9-3;/h7,13,15-17H,1,8-12,14H2,2-6H3;1H/b16-13+,18-15+,20-17+;
InChIKeyPLKFPPWOXQHWMQ-FWXNLPLSSA-N
MW326.96 g/mol
LogP5.81
Rot. Bonds10

About (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride

(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride (PubChem CID 24787453) has the molecular formula C19H35ClN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride.

Molecular Properties

Compound Name(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride
PubChem CID24787453
Molecular FormulaC19H35ClN2
Molecular Weight326.96 g/mol
Exact Mass326.25
IUPAC Name(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride
SMILESC=CCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl
InChIInChI=1S/C19H34N2.ClH/c1-7-10-11-12-14-18(17-20-19(4,5)6)15-13-16-21(8-2)9-3;/h7,13,15-17H,1,8-12,14H2,2-6H3;1H/b16-13+,18-15+,20-17+;
InChIKeyPLKFPPWOXQHWMQ-FWXNLPLSSA-N
XLogP5.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.96
LogP ≤ 55.81
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride?
The IUPAC name of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride (CID 24787453) is (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride.
What is the SMILES notation for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride?
The canonical SMILES for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride is C=CCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl.
What is the InChIKey of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride?
The InChIKey is PLKFPPWOXQHWMQ-FWXNLPLSSA-N. The full InChI is InChI=1S/C19H34N2.ClH/c1-7-10-11-12-14-18(17-20-19(4,5)6)15-13-16-21(8-2)9-3;/h7,13,15-17H,1,8-12,14H2,2-6H3;1H/b16-13+,18-15+,20-17+;.
What are the key properties of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride?
(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride has a molecular weight of 326.96 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethyldeca-1,3,9-trien-1-amine;hydrochloride is sourced from PubChem (CID 24787453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).