4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine

C18H35FN2 — CID 166951883

IUPAC4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
SMILESCCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1
InChIInChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-
InChIKeyLFCHEEUYJKGKMZ-CLFYSBASSA-N
MW298.49 g/mol
LogP3.88
Rot. Bonds10

About 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine

4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine (PubChem CID 166951883) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
PubChem CID166951883
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
SMILESCCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1
InChIInChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-
InChIKeyLFCHEEUYJKGKMZ-CLFYSBASSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686
(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine
CID 139323765
5-[(2R)-2-(1-aminopropyl)-4-(1-ethylazetidin-3-yl)-2-methylhexyl]-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 156088186
(E)-N-[[1-[3-[2-[(1-ethylcyclopropyl)methylamino]ethyl]-3-methylcyclobutyl]-3-fluoroazetidin-3-yl]methyl]-N-methylpent-3-en-1-amine
CID 171656972
(1S,4R)-5-methyl-1-N,1-N-bis(3,5,5-trimethylhexyl)cyclohex-2-ene-1,4-diamine
CID 89794026
N-ethyl-11-(2-ethyl-4-methylazetidin-1-yl)-3,7-dimethylcyclotridec-5-en-1-amine
CID 123247551
1-N-(2,2-dimethylpropyl)-7-methyl-1-N-propylundec-4-ene-1,10-diamine
CID 123814386
3-N-ethyl-2-[(3E,6Z)-9-methyl-9-(2-methylcyclobut-2-en-1-yl)-5-methylidenedeca-3,6-dienyl]butane-1,3-diamine
CID 132096216
N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine
CID 134173217
3,4-dimethyl-4-propan-2-yl-N-(4,4,5-trimethylhexyl)hept-5-en-1-amine
CID 134217954
2-methyl-N-[1-(2,2,5-trimethylcyclopent-3-en-1-yl)ethyl]hexan-1-amine
CID 138564138
(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine
CID 155323803

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The IUPAC name of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine (CID 166951883) is 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The canonical SMILES for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine is CCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1.
What is the InChIKey of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The InChIKey is LFCHEEUYJKGKMZ-CLFYSBASSA-N. The full InChI is InChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-.
What are the key properties of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine has a molecular weight of 298.49 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 166951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).