ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine

C23H36N2 — CID 145359006

IUPACethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
SMILESCC.NCCCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H30N2.C2H6/c22-16-7-17-23-18-21(14-12-19-8-3-1-4-9-19)15-13-20-10-5-2-6-11-20;1-2/h1-6,8-11,21,23H,7,12-18,22H2;1-2H3
InChIKeyXNAKKCXTWUSDPR-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.83
Rot. Bonds11

About ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine

ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine (PubChem CID 145359006) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine.

Molecular Properties

Compound Nameethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
PubChem CID145359006
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Nameethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
SMILESCC.NCCCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H30N2.C2H6/c22-16-7-17-23-18-21(14-12-19-8-3-1-4-9-19)15-13-20-10-5-2-6-11-20;1-2/h1-6,8-11,21,23H,7,12-18,22H2;1-2H3
InChIKeyXNAKKCXTWUSDPR-UHFFFAOYSA-N
XLogP4.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.83
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

N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
CID 130376707
N'-[[4-(4-phenylbutan-2-yloxy)phenyl]methyl]propane-1,3-diamine
CID 149251482
[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
CID 172684373
N'-(2-amino-2-phenylethyl)propane-1,3-diamine
CID 102078830
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
tert-butyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butyl]amino]pentan-2-yl]carbamate
CID 130376681
6-phenylhexane-1,4-diamine
CID 23163544
1-(5-methylhexylamino)-4-phenylbutan-2-ol
CID 90708776
benzene;3-phenylpropan-1-amine
CID 174865683
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine?
The IUPAC name of ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine (CID 145359006) is ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine.
What is the SMILES notation for ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine?
The canonical SMILES for ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine is CC.NCCCNCC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine?
The InChIKey is XNAKKCXTWUSDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2.C2H6/c22-16-7-17-23-18-21(14-12-19-8-3-1-4-9-19)15-13-20-10-5-2-6-11-20;1-2/h1-6,8-11,21,23H,7,12-18,22H2;1-2H3.
What are the key properties of ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine?
ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine has a molecular weight of 340.56 g/mol, XLogP of 4.83, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine is sourced from PubChem (CID 145359006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).