1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine

C20H35N — CID 63508379

IUPAC1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCCCc1ccc(C(CC(C)CC(C)(C)C)NC)cc1
InChIInChI=1S/C20H35N/c1-7-8-9-17-10-12-18(13-11-17)19(21-6)14-16(2)15-20(3,4)5/h10-13,16,19,21H,7-9,14-15H2,1-6H3
InChIKeyZELAQNRFZKBSFO-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.75
Rot. Bonds8

About 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine

1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 63508379) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID63508379
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCCCc1ccc(C(CC(C)CC(C)(C)C)NC)cc1
InChIInChI=1S/C20H35N/c1-7-8-9-17-10-12-18(13-11-17)19(21-6)14-16(2)15-20(3,4)5/h10-13,16,19,21H,7-9,14-15H2,1-6H3
InChIKeyZELAQNRFZKBSFO-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
CID 43138780
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 63508379) is 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine is CCCCc1ccc(C(CC(C)CC(C)(C)C)NC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is ZELAQNRFZKBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-8-9-17-10-12-18(13-11-17)19(21-6)14-16(2)15-20(3,4)5/h10-13,16,19,21H,7-9,14-15H2,1-6H3.
What are the key properties of 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 63508379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).