(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine

C19H37FN2 — CID 146514744

IUPAC(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
SMILESCC/C(=C(/C)NC(C)C(CC)CC/C(C)=C/NC)C(F)CC
InChIInChI=1S/C19H37FN2/c1-8-17(12-11-14(4)13-21-7)15(5)22-16(6)18(9-2)19(20)10-3/h13,15,17,19,21-22H,8-12H2,1-7H3/b14-13+,18-16+
InChIKeySNJYTLKOFGNGPE-FSWMMFABSA-N
MW312.52 g/mol
LogP5.33
Rot. Bonds11

About (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine

(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine (PubChem CID 146514744) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine.

Molecular Properties

Compound Name(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
PubChem CID146514744
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
SMILESCC/C(=C(/C)NC(C)C(CC)CC/C(C)=C/NC)C(F)CC
InChIInChI=1S/C19H37FN2/c1-8-17(12-11-14(4)13-21-7)15(5)22-16(6)18(9-2)19(20)10-3/h13,15,17,19,21-22H,8-12H2,1-7H3/b14-13+,18-16+
InChIKeySNJYTLKOFGNGPE-FSWMMFABSA-N
XLogP5.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine with MolForge

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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
3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
CID 134321570
(7E)-6-ethyl-8-[(1E,4E)-3-ethyl-5-methylocta-1,4-dienyl]-7-(1-fluoroethenyl)-1,2,3,4,5,6-hexahydroazocine
CID 139423605
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
(Z)-5-N-[(E)-2-(2-ethylcyclopropyl)prop-1-enyl]-1-fluoro-2-methyl-1-N-(2-methylidenebutyl)hex-1-ene-1,5-diamine
CID 155394160
(3S,5S,7Z,9E)-1-N-ethyl-9-fluoro-5-methyl-6-methylidene-3-N-propan-2-ylundeca-7,9-diene-1,3-diamine
CID 169644117
2-fluoro-3,3,14-trimethyl-N-[(E)-2-methylhex-3-en-3-yl]pentadec-14-en-1-amine
CID 169875938
3-(1-aminoethyl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
CID 169938403
(1E,7Z)-3-ethyl-8-N-(1-fluoroethyl)-1-N,2,7-trimethyl-1-N-(2-methylpentyl)undeca-1,7-dien-9-yne-1,8-diamine
CID 170064782
(3R,6R)-5-N-[(1Z)-buta-1,3-dienyl]-4-(1-fluoropent-2-en-2-yl)-6-methyloctane-3,5-diamine
CID 170242542
(2S,3E)-5-N-[(2E,3S)-2-ethylidene-3-methylheptyl]-2-fluoro-4-N,4-N,3-trimethylnona-3,6-diene-4,5-diamine
CID 173863327
(5Z)-4-[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]-7-N-[(3Z)-6-fluorohexa-1,3-dien-2-yl]-1-N,5-dimethyl-6-prop-1-en-2-ylocta-5,7-diene-1,7-diamine
CID 173958548

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine?
The IUPAC name of (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine (CID 146514744) is (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine.
What is the SMILES notation for (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine?
The canonical SMILES for (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine is CC/C(=C(/C)NC(C)C(CC)CC/C(C)=C/NC)C(F)CC.
What is the InChIKey of (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine?
The InChIKey is SNJYTLKOFGNGPE-FSWMMFABSA-N. The full InChI is InChI=1S/C19H37FN2/c1-8-17(12-11-14(4)13-21-7)15(5)22-16(6)18(9-2)19(20)10-3/h13,15,17,19,21-22H,8-12H2,1-7H3/b14-13+,18-16+.
What are the key properties of (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine?
(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine has a molecular weight of 312.52 g/mol, XLogP of 5.33, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine is sourced from PubChem (CID 146514744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).