N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine

C27H42N2 — CID 7272117

IUPACN-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
SMILESC[C@H](Cc1ccccc1)NCCCCCCCCCN[C@@H](C)Cc1ccccc1
InChIInChI=1S/C27H42N2/c1-24(22-26-16-10-8-11-17-26)28-20-14-6-4-3-5-7-15-21-29-25(2)23-27-18-12-9-13-19-27/h8-13,16-19,24-25,28-29H,3-7,14-15,20-23H2,1-2H3/t24-,25+
InChIKeyFFDSVAFMDCSVST-PLQXJYEYSA-N
MW394.65 g/mol
LogP6.16
Rot. Bonds16

About N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine

N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine (PubChem CID 7272117) has the molecular formula C27H42N2 and a molecular weight of 394.65 g/mol. Its IUPAC name is N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine.

Molecular Properties

Compound NameN-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
PubChem CID7272117
Molecular FormulaC27H42N2
Molecular Weight394.65 g/mol
Exact Mass394.33
IUPAC NameN-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
SMILESC[C@H](Cc1ccccc1)NCCCCCCCCCN[C@@H](C)Cc1ccccc1
InChIInChI=1S/C27H42N2/c1-24(22-26-16-10-8-11-17-26)28-20-14-6-4-3-5-7-15-21-29-25(2)23-27-18-12-9-13-19-27/h8-13,16-19,24-25,28-29H,3-7,14-15,20-23H2,1-2H3/t24-,25+
InChIKeyFFDSVAFMDCSVST-PLQXJYEYSA-N
XLogP6.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10998534
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
(1-phenylpropan-2-ylamino)methanol
CID 54463712
N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
CID 110176604
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
4-[2-(decylamino)propyl]phenol
CID 115494442
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
CID 155119438
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine?
The IUPAC name of N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine (CID 7272117) is N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine.
What is the SMILES notation for N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine?
The canonical SMILES for N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine is C[C@H](Cc1ccccc1)NCCCCCCCCCN[C@@H](C)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine?
The InChIKey is FFDSVAFMDCSVST-PLQXJYEYSA-N. The full InChI is InChI=1S/C27H42N2/c1-24(22-26-16-10-8-11-17-26)28-20-14-6-4-3-5-7-15-21-29-25(2)23-27-18-12-9-13-19-27/h8-13,16-19,24-25,28-29H,3-7,14-15,20-23H2,1-2H3/t24-,25+.
What are the key properties of N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine?
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine has a molecular weight of 394.65 g/mol, XLogP of 6.16, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine is sourced from PubChem (CID 7272117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).