3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine

C18H29FN2 — CID 43830600

IUPAC3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
SMILESC=C(C)CC(N)(c1ccccc1F)C(CC)N(CC)CC
InChIInChI=1S/C18H29FN2/c1-6-17(21(7-2)8-3)18(20,13-14(4)5)15-11-9-10-12-16(15)19/h9-12,17H,4,6-8,13,20H2,1-3,5H3
InChIKeyIKIZSAAQGQJRIK-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds8

About 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine

3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine (PubChem CID 43830600) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
PubChem CID43830600
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
SMILESC=C(C)CC(N)(c1ccccc1F)C(CC)N(CC)CC
InChIInChI=1S/C18H29FN2/c1-6-17(21(7-2)8-3)18(20,13-14(4)5)15-11-9-10-12-16(15)19/h9-12,17H,4,6-8,13,20H2,1-3,5H3
InChIKeyIKIZSAAQGQJRIK-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
CID 43829611
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553
4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
CID 43830638
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
CID 43830618
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine (CID 43830600) is 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine is C=C(C)CC(N)(c1ccccc1F)C(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine?
The InChIKey is IKIZSAAQGQJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-6-17(21(7-2)8-3)18(20,13-14(4)5)15-11-9-10-12-16(15)19/h9-12,17H,4,6-8,13,20H2,1-3,5H3.
What are the key properties of 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine?
3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine is sourced from PubChem (CID 43830600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).