2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine

C16H27N — CID 114200183

IUPAC2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
SMILESCC(C)CC(C)CNCC(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-13(2)10-14(3)11-17-12-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3
InChIKeyFZCABOZJLZZJDR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.06
Rot. Bonds7

About 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine

2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine (PubChem CID 114200183) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
PubChem CID114200183
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
SMILESCC(C)CC(C)CNCC(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-13(2)10-14(3)11-17-12-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3
InChIKeyFZCABOZJLZZJDR-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441196
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
[(2S)-2-phenylpropyl]hydrazine
CID 76971638

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine (CID 114200183) is 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine is CC(C)CC(C)CNCC(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine?
The InChIKey is FZCABOZJLZZJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)10-14(3)11-17-12-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine?
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine is sourced from PubChem (CID 114200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).