(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine

C19H36FN3 — CID 142157086

IUPAC(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine
SMILESC/C=C\C=C(/CF)C(CCCN(CC)CC)N1CCN(C)CC1
InChIInChI=1S/C19H36FN3/c1-5-8-10-18(17-20)19(11-9-12-22(6-2)7-3)23-15-13-21(4)14-16-23/h5,8,10,19H,6-7,9,11-17H2,1-4H3/b8-5-,18-10+
InChIKeyQGFNAOUYFFPWNY-PAHMIKEISA-N
MW325.52 g/mol
LogP3.20
Rot. Bonds10

About (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine

(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine (PubChem CID 142157086) has the molecular formula C19H36FN3 and a molecular weight of 325.52 g/mol. Its IUPAC name is (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine
PubChem CID142157086
Molecular FormulaC19H36FN3
Molecular Weight325.52 g/mol
Exact Mass325.29
IUPAC Name(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine
SMILESC/C=C\C=C(/CF)C(CCCN(CC)CC)N1CCN(C)CC1
InChIInChI=1S/C19H36FN3/c1-5-8-10-18(17-20)19(11-9-12-22(6-2)7-3)23-15-13-21(4)14-16-23/h5,8,10,19H,6-7,9,11-17H2,1-4H3/b8-5-,18-10+
InChIKeyQGFNAOUYFFPWNY-PAHMIKEISA-N
XLogP3.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine with MolForge

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Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-methyl-4-[(2Z,4E)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-(trifluoromethyl)hepta-2,4,6-trienyl]piperazine
CID 126748900
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]piperidine
CID 135225542
N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine
CID 139353510
N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
CID 142298286
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
CID 142443820
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazine
CID 142444551
4-[(6-Fluorocyclohepta-1,4,6-trien-1-yl)methyl]-1,2-dimethylpiperazine
CID 142829516
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127950
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984
N-ethyl-N'-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 143251444

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine?
The IUPAC name of (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine (CID 142157086) is (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine.
What is the SMILES notation for (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine?
The canonical SMILES for (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine is C/C=C\C=C(/CF)C(CCCN(CC)CC)N1CCN(C)CC1.
What is the InChIKey of (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine?
The InChIKey is QGFNAOUYFFPWNY-PAHMIKEISA-N. The full InChI is InChI=1S/C19H36FN3/c1-5-8-10-18(17-20)19(11-9-12-22(6-2)7-3)23-15-13-21(4)14-16-23/h5,8,10,19H,6-7,9,11-17H2,1-4H3/b8-5-,18-10+.
What are the key properties of (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine?
(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine has a molecular weight of 325.52 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine is sourced from PubChem (CID 142157086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).