N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine

C16H27N — CID 55191412

IUPACN-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-6-12-15(17-13-16(2,3)4)14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyCHMKAARCAOEUCV-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.55
Rot. Bonds6

About N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine

N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine (PubChem CID 55191412) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
PubChem CID55191412
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-6-12-15(17-13-16(2,3)4)14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyCHMKAARCAOEUCV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
CID 43758913
2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine (CID 55191412) is N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine is CCCCC(NCC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine?
The InChIKey is CHMKAARCAOEUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-12-15(17-13-16(2,3)4)14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine?
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine is sourced from PubChem (CID 55191412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).