6-phenylhexane-1,4-diamine

C12H20N2 — CID 23163544

IUPAC6-phenylhexane-1,4-diamine
SMILESNCCCC(N)CCc1ccccc1
InChIInChI=1S/C12H20N2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13-14H2
InChIKeyDXQUIIOVTZCRCE-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.69
Rot. Bonds6

About 6-phenylhexane-1,4-diamine

6-phenylhexane-1,4-diamine (PubChem CID 23163544) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 6-phenylhexane-1,4-diamine.

Molecular Properties

Compound Name6-phenylhexane-1,4-diamine
PubChem CID23163544
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name6-phenylhexane-1,4-diamine
SMILESNCCCC(N)CCc1ccccc1
InChIInChI=1S/C12H20N2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13-14H2
InChIKeyDXQUIIOVTZCRCE-UHFFFAOYSA-N
XLogP1.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenylheptane-1,4-diamine
CID 174860311
5-phenylpentane-1,3-diamine
CID 68702978
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CID 139723789
(3R)-1-phenylhexan-3-amine
CID 66612996
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
1,4-diphenylbutan-2-amine
CID 60820174
13-phenyltridecan-1-amine
CID 19801439
(6S)-6,9-diamino-1-phenylnonan-4-one
CID 157262351
benzene;3-phenylpropan-1-amine
CID 174865683
2-amino-4-phenylbutan-1-ol
CID 159249603
1-phenyloctan-4-amine
CID 79413314
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955

Frequently Asked Questions

What is the IUPAC name of 6-phenylhexane-1,4-diamine?
The IUPAC name of 6-phenylhexane-1,4-diamine (CID 23163544) is 6-phenylhexane-1,4-diamine.
What is the SMILES notation for 6-phenylhexane-1,4-diamine?
The canonical SMILES for 6-phenylhexane-1,4-diamine is NCCCC(N)CCc1ccccc1.
What is the InChIKey of 6-phenylhexane-1,4-diamine?
The InChIKey is DXQUIIOVTZCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13-14H2.
What are the key properties of 6-phenylhexane-1,4-diamine?
6-phenylhexane-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexane-1,4-diamine is sourced from PubChem (CID 23163544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).