3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine

C18H29FN2 — CID 43830553

IUPAC3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
SMILESC=CCC(N)(c1ccccc1F)C(C)N(CCC)CCC
InChIInChI=1S/C18H29FN2/c1-5-12-18(20,16-10-8-9-11-17(16)19)15(4)21(13-6-2)14-7-3/h5,8-11,15H,1,6-7,12-14,20H2,2-4H3
InChIKeyTVPTZIGVBDJTBK-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds9

About 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine

3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine (PubChem CID 43830553) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
PubChem CID43830553
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
SMILESC=CCC(N)(c1ccccc1F)C(C)N(CCC)CCC
InChIInChI=1S/C18H29FN2/c1-5-12-18(20,16-10-8-9-11-17(16)19)15(4)21(13-6-2)14-7-3/h5,8-11,15H,1,6-7,12-14,20H2,2-4H3
InChIKeyTVPTZIGVBDJTBK-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
CID 43830638
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
CID 43830600
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 173045613
2-ethoxycarbonyl-2-(2-fluorophenyl)pent-4-enoic acid
CID 103974975
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
CID 43830618
2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine
CID 43830706

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine?
The IUPAC name of 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine (CID 43830553) is 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine is C=CCC(N)(c1ccccc1F)C(C)N(CCC)CCC.
What is the InChIKey of 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine?
The InChIKey is TVPTZIGVBDJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-12-18(20,16-10-8-9-11-17(16)19)15(4)21(13-6-2)14-7-3/h5,8-11,15H,1,6-7,12-14,20H2,2-4H3.
What are the key properties of 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine?
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine is sourced from PubChem (CID 43830553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).