N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine

C17H29N — CID 81023928

IUPACN-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
SMILESCC(C)(C)CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-16(2,3)12-15(13-18-17(4,5)6)14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3
InChIKeyUBBGWMJYFNGBSH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.59
Rot. Bonds4

About N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine

N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine (PubChem CID 81023928) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
PubChem CID81023928
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
SMILESCC(C)(C)CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-16(2,3)12-15(13-18-17(4,5)6)14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3
InChIKeyUBBGWMJYFNGBSH-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365
N-tert-butyl-2-phenyloct-7-en-1-amine
CID 81024608
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740
N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine?
The IUPAC name of N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine (CID 81023928) is N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine?
The canonical SMILES for N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine is CC(C)(C)CC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine?
The InChIKey is UBBGWMJYFNGBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-16(2,3)12-15(13-18-17(4,5)6)14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine?
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine is sourced from PubChem (CID 81023928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).