N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine

C20H37FN2 — CID 142121293

IUPACN-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
SMILESC/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC
InChIInChI=1S/C20H37FN2/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3/h10,16,18H,7-9,11-15H2,1-6H3/b19-17-,20-10+,22-16-
InChIKeyMMGGIXMWFXWXLB-HFKLQUFVSA-N
MW324.53 g/mol
LogP6.64
Rot. Bonds12

About N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine

N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine (PubChem CID 142121293) has the molecular formula C20H37FN2 and a molecular weight of 324.53 g/mol. Its IUPAC name is N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine.

Molecular Properties

Compound NameN-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
PubChem CID142121293
Molecular FormulaC20H37FN2
Molecular Weight324.53 g/mol
Exact Mass324.29
IUPAC NameN-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
SMILESC/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC
InChIInChI=1S/C20H37FN2/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3/h10,16,18H,7-9,11-15H2,1-6H3/b19-17-,20-10+,22-16-
InChIKeyMMGGIXMWFXWXLB-HFKLQUFVSA-N
XLogP6.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(Z)-[(Z)-2-fluoropent-2-enylidene]amino]methyl]-N-methylnonan-5-amine
CID 141939438
(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
CID 142120384
ethane;N-ethyl-N-[1-[(Z)-[(E)-3-methylpent-2-enylidene]amino]propa-1,2-dienyl]nonan-5-amine
CID 141877459
(1Z,2E,6Z)-N-(2,2-dimethylpropyl)-6-ethyl-N-heptan-4-yl-4,5-dihydroazocin-2-amine
CID 141877832
ethane;N-[[(Z)-[(Z)-2-fluoropent-2-enylidene]amino]methyl]-N-methylnonan-5-amine
CID 141939437
(1Z,2E,6Z)-N-(2,2-dimethylpropyl)-N-heptan-4-yl-6-propyl-4,5-dihydroazocin-2-amine
CID 141939469
1-N'-heptan-2-yl-1-N'-[(Z)-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]prop-1-enyl]ethene-1,1-diamine
CID 141939980
(1Z,2E,6Z)-N-(2-methylpropyl)-N-nonan-5-yl-6-propyl-4,5-dihydroazocin-2-amine
CID 141940390
ethane;N-[1-[(Z)-[(E)-3-methylpent-2-enylidene]amino]propa-1,2-dienyl]-N-propylheptan-4-amine
CID 141940564
ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
CID 142120383
ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
CID 142120671
ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
CID 142121292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The IUPAC name of N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine (CID 142121293) is N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine.
What is the SMILES notation for N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The canonical SMILES for N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine is C/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC.
What is the InChIKey of N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The InChIKey is MMGGIXMWFXWXLB-HFKLQUFVSA-N. The full InChI is InChI=1S/C20H37FN2/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3/h10,16,18H,7-9,11-15H2,1-6H3/b19-17-,20-10+,22-16-.
What are the key properties of N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine has a molecular weight of 324.53 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine is sourced from PubChem (CID 142121293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).