N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine

C28H51N — CID 19865267

IUPACN-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC(C)(C)Cc1ccccc1
InChIInChI=1S/C28H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24,29H,4-18,22,25-26H2,1-3H3
InChIKeyHVFSKHJXHBGXND-UHFFFAOYSA-N
MW401.72 g/mol
LogP8.86
Rot. Bonds20

About N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine

N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine (PubChem CID 19865267) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
PubChem CID19865267
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC(C)(C)Cc1ccccc1
InChIInChI=1S/C28H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24,29H,4-18,22,25-26H2,1-3H3
InChIKeyHVFSKHJXHBGXND-UHFFFAOYSA-N
XLogP8.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
N-(1,1-dichloro-2-phenylethyl)dodecan-1-amine;hydrochloride
CID 173441859
N-benzyl-2-methylnonan-2-amine
CID 54410414
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705
N-(1,1-diphenylethyl)pentan-1-amine
CID 67665508
N-(2-methyl-1-phenoxypropan-2-yl)tetradecan-1-amine;hydroiodide
CID 175451990
N-(2-methyl-1-phenoxypropan-2-yl)undecan-1-amine;hydroiodide
CID 175451988
1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
CID 22640922
N-nonadecylaniline
CID 54509054

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine (CID 19865267) is N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCNC(C)(C)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine?
The InChIKey is HVFSKHJXHBGXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24,29H,4-18,22,25-26H2,1-3H3.
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine?
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine has a molecular weight of 401.72 g/mol, XLogP of 8.86, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine is sourced from PubChem (CID 19865267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).