(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine

C19H35N — CID 139493100

IUPAC(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine
SMILESC/C=C\C(=C/C=N/C)C(C)(CCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-6-9-11-12-16-19(4,15-10-7-2)18(13-8-3)14-17-20-5/h8,13-14,17H,6-7,9-12,15-16H2,1-5H3/b13-8-,18-14+,20-17+
InChIKeyUAJDAQPPQTVNSH-GLIWYTDVSA-N
MW277.50 g/mol
LogP6.36
Rot. Bonds11

About (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine

(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine (PubChem CID 139493100) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine
PubChem CID139493100
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine
SMILESC/C=C\C(=C/C=N/C)C(C)(CCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-6-9-11-12-16-19(4,15-10-7-2)18(13-8-3)14-17-20-5/h8,13-14,17H,6-7,9-12,15-16H2,1-5H3/b13-8-,18-14+,20-17+
InChIKeyUAJDAQPPQTVNSH-GLIWYTDVSA-N
XLogP6.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
CID 167179405
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhentetracontane
CID 123896152
(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
CID 129033725
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716

Frequently Asked Questions

What is the IUPAC name of (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine?
The IUPAC name of (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine (CID 139493100) is (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine.
What is the SMILES notation for (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine?
The canonical SMILES for (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine is C/C=C\C(=C/C=N/C)C(C)(CCCC)CCCCCC.
What is the InChIKey of (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine?
The InChIKey is UAJDAQPPQTVNSH-GLIWYTDVSA-N. The full InChI is InChI=1S/C19H35N/c1-6-9-11-12-16-19(4,15-10-7-2)18(13-8-3)14-17-20-5/h8,13-14,17H,6-7,9-12,15-16H2,1-5H3/b13-8-,18-14+,20-17+.
What are the key properties of (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine?
(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine has a molecular weight of 277.50 g/mol, XLogP of 6.36, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine is sourced from PubChem (CID 139493100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).