(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane

C19H39N — CID 142959935

IUPAC(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane
SMILESC=C/C=C(\C(=C)CC)C(C)(CC)N(C)CC.CC.CC
InChIInChI=1S/C15H27N.2C2H6/c1-8-12-14(13(5)9-2)15(6,10-3)16(7)11-4;2*1-2/h8,12H,1,5,9-11H2,2-4,6-7H3;2*1-2H3/b14-12+;;
InChIKeyBPDXYJZCUXRNQM-QHXCTMFKSA-N
MW281.53 g/mol
LogP6.24
Rot. Bonds7

About (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane

(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane (PubChem CID 142959935) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane.

Molecular Properties

Compound Name(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane
PubChem CID142959935
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane
SMILESC=C/C=C(\C(=C)CC)C(C)(CC)N(C)CC.CC.CC
InChIInChI=1S/C15H27N.2C2H6/c1-8-12-14(13(5)9-2)15(6,10-3)16(7)11-4;2*1-2/h8,12H,1,5,9-11H2,2-4,6-7H3;2*1-2H3/b14-12+;;
InChIKeyBPDXYJZCUXRNQM-QHXCTMFKSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123042
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
4-fluoro-1-[(Z,2E)-3-methyl-2-propylidenehex-3-enyl]-4-prop-2-enylazepane
CID 130216894
(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
CID 130242940
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine
CID 177061057
(r)-1,3-Bis-[1-(dimethylamino)ethyl] phenyllithium
CID 129859227
diethyl-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-methylazanium
CID 211024
N,N-bis(2-ethylhexyl)cyclohex-2-en-1-amine
CID 258792
2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
CID 10947963
1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 18783356

Frequently Asked Questions

What is the IUPAC name of (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane?
The IUPAC name of (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane (CID 142959935) is (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane.
What is the SMILES notation for (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane?
The canonical SMILES for (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane is C=C/C=C(\C(=C)CC)C(C)(CC)N(C)CC.CC.CC.
What is the InChIKey of (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane?
The InChIKey is BPDXYJZCUXRNQM-QHXCTMFKSA-N. The full InChI is InChI=1S/C15H27N.2C2H6/c1-8-12-14(13(5)9-2)15(6,10-3)16(7)11-4;2*1-2/h8,12H,1,5,9-11H2,2-4,6-7H3;2*1-2H3/b14-12+;;.
What are the key properties of (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane?
(4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane has a molecular weight of 281.53 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-but-1-en-2-yl-N-ethyl-N,3-dimethylhepta-4,6-dien-3-amine;ethane is sourced from PubChem (CID 142959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).