(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine

C17H26FN — CID 167063172

IUPAC(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine
SMILESC#C/C=C(F)\C=C(\CC)CNC(=C)C(C)C(C)CC
InChIInChI=1S/C17H26FN/c1-7-10-17(18)11-16(9-3)12-19-15(6)14(5)13(4)8-2/h1,10-11,13-14,19H,6,8-9,12H2,2-5H3/b16-11-,17-10+
InChIKeyJPILLVSAWSQQAF-KQRVFROYSA-N
MW263.40 g/mol
LogP4.59
Rot. Bonds8

About (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine

(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine (PubChem CID 167063172) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine
PubChem CID167063172
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine
SMILESC#C/C=C(F)\C=C(\CC)CNC(=C)C(C)C(C)CC
InChIInChI=1S/C17H26FN/c1-7-10-17(18)11-16(9-3)12-19-15(6)14(5)13(4)8-2/h1,10-11,13-14,19H,6,8-9,12H2,2-5H3/b16-11-,17-10+
InChIKeyJPILLVSAWSQQAF-KQRVFROYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-[(E)-3-(5-fluoro-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)prop-2-enyl]pentan-1-amine
CID 126583499
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
(5E)-N-but-1-en-3-yn-2-yl-5-ethyl-7-fluoro-6,8-dimethyl-3-methylidenenona-5,7-dien-2-amine
CID 166896741
(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine
CID 167296061
(E,4E)-2-ethenyl-4-(1-fluoropropylidene)-N'-(2-methyl-4-methylidene-3-prop-2-ynylidenecyclobuten-1-yl)hex-2-ene-1,6-diamine
CID 143346610
(3Z,4S)-N-butyl-3-ethylidene-4-methylhex-1-en-2-amine
CID 89372754
(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine
CID 126746360
(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine
CID 129060052

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine?
The IUPAC name of (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine (CID 167063172) is (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine.
What is the SMILES notation for (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine?
The canonical SMILES for (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine is C#C/C=C(F)\C=C(\CC)CNC(=C)C(C)C(C)CC.
What is the InChIKey of (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine?
The InChIKey is JPILLVSAWSQQAF-KQRVFROYSA-N. The full InChI is InChI=1S/C17H26FN/c1-7-10-17(18)11-16(9-3)12-19-15(6)14(5)13(4)8-2/h1,10-11,13-14,19H,6,8-9,12H2,2-5H3/b16-11-,17-10+.
What are the key properties of (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine?
(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine is sourced from PubChem (CID 167063172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).