4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride

C14H26Cl2N2 — CID 69455480

IUPAC4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride
SMILESCCC(N)(CC)CCC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H24N2.2ClH/c1-3-14(16,4-2)11-10-13(15)12-8-6-5-7-9-12;;/h5-9,13H,3-4,10-11,15-16H2,1-2H3;2*1H
InChIKeyYANHJLKUSVYSET-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.83
Rot. Bonds6

About 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride

4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride (PubChem CID 69455480) has the molecular formula C14H26Cl2N2 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride
PubChem CID69455480
Molecular FormulaC14H26Cl2N2
Molecular Weight293.28 g/mol
Exact Mass292.15
IUPAC Name4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride
SMILESCCC(N)(CC)CCC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H24N2.2ClH/c1-3-14(16,4-2)11-10-13(15)12-8-6-5-7-9-12;;/h5-9,13H,3-4,10-11,15-16H2,1-2H3;2*1H
InChIKeyYANHJLKUSVYSET-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44542268
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CID 175245788
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
4-amino-1-fluoro-4-phenylbutan-1-ol
CID 102340045
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-phenylphenyl)butan-1-amine
CID 43197430

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride (CID 69455480) is 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride is CCC(N)(CC)CCC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride?
The InChIKey is YANHJLKUSVYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.2ClH/c1-3-14(16,4-2)11-10-13(15)12-8-6-5-7-9-12;;/h5-9,13H,3-4,10-11,15-16H2,1-2H3;2*1H.
What are the key properties of 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride?
4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride has a molecular weight of 293.28 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 69455480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).