(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane

C19H28N2 — CID 160625551

IUPAC(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
SMILESC.N[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H24N2.CH4/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,19-20H2;1H4/t17-,18-;/m1./s1
InChIKeyRHGGOIZJLCQJDS-JAXOOIEVSA-N
MW284.45 g/mol
LogP3.54
Rot. Bonds7

About (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane

(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane (PubChem CID 160625551) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane.

Molecular Properties

Compound Name(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
PubChem CID160625551
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
SMILESC.N[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H24N2.CH4/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,19-20H2;1H4/t17-,18-;/m1./s1
InChIKeyRHGGOIZJLCQJDS-JAXOOIEVSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
1,4-diphenylbutan-2-amine
CID 60820174
(5S)-6-phenylhex-1-ene-2,5-diamine
CID 146226437
ethene;3-phenylpropane-1,2-diamine
CID 175295695
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride
CID 161115825
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
5-methoxy-1-phenylpentan-2-amine
CID 62608693
5-amino-6-phenylhexan-2-one
CID 90094782
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane?
The IUPAC name of (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane (CID 160625551) is (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane.
What is the SMILES notation for (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane?
The canonical SMILES for (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane is C.N[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane?
The InChIKey is RHGGOIZJLCQJDS-JAXOOIEVSA-N. The full InChI is InChI=1S/C18H24N2.CH4/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,19-20H2;1H4/t17-,18-;/m1./s1.
What are the key properties of (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane?
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane has a molecular weight of 284.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,6-diphenylhexane-2,5-diamine;methane is sourced from PubChem (CID 160625551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).