(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine

C28H43N3 — CID 24793491

IUPAC(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
SMILESCNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C28H43N3/c1-29-22-27(20-25-14-7-3-8-15-25)31-23-28(21-26-16-9-4-10-17-26)30-19-11-18-24-12-5-2-6-13-24/h2-3,5-8,12-15,26-31H,4,9-11,16-23H2,1H3/t27-,28-/m1/s1
InChIKeyOXFYWPFKKIAGTJ-VSGBNLITSA-N
MW421.67 g/mol
LogP4.97
Rot. Bonds14

About (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine

(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine (PubChem CID 24793491) has the molecular formula C28H43N3 and a molecular weight of 421.67 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
PubChem CID24793491
Molecular FormulaC28H43N3
Molecular Weight421.67 g/mol
Exact Mass421.35
IUPAC Name(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
SMILESCNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C28H43N3/c1-29-22-27(20-25-14-7-3-8-15-25)31-23-28(21-26-16-9-4-10-17-26)30-19-11-18-24-12-5-2-6-13-24/h2-3,5-8,12-15,26-31H,4,9-11,16-23H2,1H3/t27-,28-/m1/s1
InChIKeyOXFYWPFKKIAGTJ-VSGBNLITSA-N
XLogP4.97
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.67
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 15858785
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
2-cyclohexyl-N-methyl-3-phenylpropan-1-amine
CID 82931379
1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine
CID 100929641
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
N-[(2R)-1-cyclohexyl-3-[[(2S)-1-(4-hydroxyphenyl)-3-(methylamino)propan-2-yl]amino]propan-2-yl]-3,4,5-trihydroxybenzamide
CID 10162340
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine?
The IUPAC name of (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine (CID 24793491) is (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine?
The canonical SMILES for (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine is CNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1.
What is the InChIKey of (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine?
The InChIKey is OXFYWPFKKIAGTJ-VSGBNLITSA-N. The full InChI is InChI=1S/C28H43N3/c1-29-22-27(20-25-14-7-3-8-15-25)31-23-28(21-26-16-9-4-10-17-26)30-19-11-18-24-12-5-2-6-13-24/h2-3,5-8,12-15,26-31H,4,9-11,16-23H2,1H3/t27-,28-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine?
(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine has a molecular weight of 421.67 g/mol, XLogP of 4.97, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine is sourced from PubChem (CID 24793491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).