N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine

C15H26N2 — CID 107441196

IUPACN'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(CNCC(CN)C(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-12(2)15(9-16)11-17-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11,16H2,1-3H3
InChIKeyARWDDQRAWNZIFW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.61
Rot. Bonds7

About N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441196) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441196
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(CNCC(CN)C(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-12(2)15(9-16)11-17-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11,16H2,1-3H3
InChIKeyARWDDQRAWNZIFW-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
CID 114010183
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
CID 114200183
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441196) is N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine is CC(CNCC(CN)C(C)C)c1ccccc1.
What is the InChIKey of N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is ARWDDQRAWNZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)15(9-16)11-17-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11,16H2,1-3H3.
What are the key properties of N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).