(5S)-5-methyl-6-phenylhexane-1,4-diamine

C13H22N2 — CID 90974267

IUPAC(5S)-5-methyl-6-phenylhexane-1,4-diamine
SMILESC[C@@H](Cc1ccccc1)C(N)CCCN
InChIInChI=1S/C13H22N2/c1-11(13(15)8-5-9-14)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,14-15H2,1H3/t11-,13?/m0/s1
InChIKeyCZGGBWHWPFCVNV-AMGKYWFPSA-N
MW206.33 g/mol
LogP1.93
Rot. Bonds6

About (5S)-5-methyl-6-phenylhexane-1,4-diamine

(5S)-5-methyl-6-phenylhexane-1,4-diamine (PubChem CID 90974267) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5S)-5-methyl-6-phenylhexane-1,4-diamine.

Molecular Properties

Compound Name(5S)-5-methyl-6-phenylhexane-1,4-diamine
PubChem CID90974267
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5S)-5-methyl-6-phenylhexane-1,4-diamine
SMILESC[C@@H](Cc1ccccc1)C(N)CCCN
InChIInChI=1S/C13H22N2/c1-11(13(15)8-5-9-14)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,14-15H2,1H3/t11-,13?/m0/s1
InChIKeyCZGGBWHWPFCVNV-AMGKYWFPSA-N
XLogP1.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenylhexane-1,5-diamine
CID 19005200
2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
7-phenylheptane-1,4-diamine
CID 174860311
4-fluoro-5-phenylpentan-1-amine
CID 83855308
6-phenylhexane-1,4-diamine
CID 23163544
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2,3-dimethylbutylbenzene
CID 12054035
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
azane;1-phenylpropan-2-amine
CID 67350534
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-6-phenylhexane-1,4-diamine?
The IUPAC name of (5S)-5-methyl-6-phenylhexane-1,4-diamine (CID 90974267) is (5S)-5-methyl-6-phenylhexane-1,4-diamine.
What is the SMILES notation for (5S)-5-methyl-6-phenylhexane-1,4-diamine?
The canonical SMILES for (5S)-5-methyl-6-phenylhexane-1,4-diamine is C[C@@H](Cc1ccccc1)C(N)CCCN.
What is the InChIKey of (5S)-5-methyl-6-phenylhexane-1,4-diamine?
The InChIKey is CZGGBWHWPFCVNV-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(13(15)8-5-9-14)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,14-15H2,1H3/t11-,13?/m0/s1.
What are the key properties of (5S)-5-methyl-6-phenylhexane-1,4-diamine?
(5S)-5-methyl-6-phenylhexane-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6-phenylhexane-1,4-diamine is sourced from PubChem (CID 90974267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).