(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine

C14H26FN — CID 134365675

IUPAC(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
SMILESC=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC
InChIInChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1
InChIKeyXZQLWWDVKCUSIJ-BITNCPOMSA-N
MW227.37 g/mol
LogP3.82
Rot. Bonds8

About (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine

(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine (PubChem CID 134365675) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine.

Molecular Properties

Compound Name(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
PubChem CID134365675
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
SMILESC=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC
InChIInChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1
InChIKeyXZQLWWDVKCUSIJ-BITNCPOMSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine with MolForge

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
6-Fluoro-3-propyl-1-sulfanyl-2,3,8,9-tetrahydroazonine
CID 91501351
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053

Frequently Asked Questions

What is the IUPAC name of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The IUPAC name of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine (CID 134365675) is (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine.
What is the SMILES notation for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The canonical SMILES for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine is C=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC.
What is the InChIKey of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The InChIKey is XZQLWWDVKCUSIJ-BITNCPOMSA-N. The full InChI is InChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1.
What are the key properties of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine is sourced from PubChem (CID 134365675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).