2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine

C17H29N — CID 114333508

IUPAC2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
SMILESCC(CNCCCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H29N/c1-15(17(2,3)4)14-18-13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3
InChIKeyBGCNRHJRNDOJFM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.28
Rot. Bonds7

About 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine

2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine (PubChem CID 114333508) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
PubChem CID114333508
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
SMILESCC(CNCCCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H29N/c1-15(17(2,3)4)14-18-13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3
InChIKeyBGCNRHJRNDOJFM-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.28
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

2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
1,1-difluoro-3-(4-phenylbutylamino)propan-2-ol
CID 114093415

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine (CID 114333508) is 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine is CC(CNCCCCc1ccccc1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine?
The InChIKey is BGCNRHJRNDOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-15(17(2,3)4)14-18-13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine?
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine is sourced from PubChem (CID 114333508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).