(2S,5R)-1,7-diphenylheptane-2,5-diamine

C19H26N2 — CID 126603451

IUPAC(2S,5R)-1,7-diphenylheptane-2,5-diamine
SMILESN[C@H](CCc1ccccc1)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C19H26N2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,20-21H2/t18-,19+/m1/s1
InChIKeyIJKRJTOFDCTGSB-MOPGFXCFSA-N
MW282.43 g/mol
LogP3.30
Rot. Bonds8

About (2S,5R)-1,7-diphenylheptane-2,5-diamine

(2S,5R)-1,7-diphenylheptane-2,5-diamine (PubChem CID 126603451) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S,5R)-1,7-diphenylheptane-2,5-diamine.

Molecular Properties

Compound Name(2S,5R)-1,7-diphenylheptane-2,5-diamine
PubChem CID126603451
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(2S,5R)-1,7-diphenylheptane-2,5-diamine
SMILESN[C@H](CCc1ccccc1)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C19H26N2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,20-21H2/t18-,19+/m1/s1
InChIKeyIJKRJTOFDCTGSB-MOPGFXCFSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diphenylbutan-2-amine
CID 60820174
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
5-phenylpentane-1,3-diamine
CID 68702978
(3R)-1-phenylhexan-3-amine
CID 66612996
6-phenylhexane-1,4-diamine
CID 23163544
2-amino-4-phenylbutan-1-ol
CID 159249603
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1,7-diphenylheptane-2,5-diamine?
The IUPAC name of (2S,5R)-1,7-diphenylheptane-2,5-diamine (CID 126603451) is (2S,5R)-1,7-diphenylheptane-2,5-diamine.
What is the SMILES notation for (2S,5R)-1,7-diphenylheptane-2,5-diamine?
The canonical SMILES for (2S,5R)-1,7-diphenylheptane-2,5-diamine is N[C@H](CCc1ccccc1)CC[C@H](N)Cc1ccccc1.
What is the InChIKey of (2S,5R)-1,7-diphenylheptane-2,5-diamine?
The InChIKey is IJKRJTOFDCTGSB-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26N2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,20-21H2/t18-,19+/m1/s1.
What are the key properties of (2S,5R)-1,7-diphenylheptane-2,5-diamine?
(2S,5R)-1,7-diphenylheptane-2,5-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1,7-diphenylheptane-2,5-diamine is sourced from PubChem (CID 126603451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).