2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine

C17H29N — CID 114989797

IUPAC2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine
SMILESCC(Cc1ccccc1)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29N/c1-14(12-15-10-8-7-9-11-15)18-17(5,6)13-16(2,3)4/h7-11,14,18H,12-13H2,1-6H3
InChIKeyWGMRDYYKLATRFT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.42
Rot. Bonds5

About 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine

2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine (PubChem CID 114989797) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine
PubChem CID114989797
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine
SMILESCC(Cc1ccccc1)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29N/c1-14(12-15-10-8-7-9-11-15)18-17(5,6)13-16(2,3)4/h7-11,14,18H,12-13H2,1-6H3
InChIKeyWGMRDYYKLATRFT-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 114828923
1-phenyl-N-(2-phenylpropan-2-yl)propan-2-amine
CID 22460109
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731142
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
CID 82344685
2-[1-(4-chlorophenyl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115927458

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine (CID 114989797) is 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine is CC(Cc1ccccc1)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine?
The InChIKey is WGMRDYYKLATRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(12-15-10-8-7-9-11-15)18-17(5,6)13-16(2,3)4/h7-11,14,18H,12-13H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine?
2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine is sourced from PubChem (CID 114989797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).