N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine

C17H29N — CID 64989716

IUPACN,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
SMILESCNC(CCc1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12-10-14(3)15(11-13(12)2)8-9-16(18-7)17(4,5)6/h10-11,16,18H,8-9H2,1-7H3
InChIKeyFLAWYIPLOYVIGM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.18
Rot. Bonds4

About N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine

N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine (PubChem CID 64989716) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
PubChem CID64989716
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
SMILESCNC(CCc1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C17H29N/c1-12-10-14(3)15(11-13(12)2)8-9-16(18-7)17(4,5)6/h10-11,16,18H,8-9H2,1-7H3
InChIKeyFLAWYIPLOYVIGM-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
CID 105375532
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
CID 82470365
1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 79698062
1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine
CID 114606294
(3S)-N,2,2-trimethylhexan-3-amine
CID 155282870
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
CID 54891204
N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine
CID 139446991
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
CID 64990273
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine?
The IUPAC name of N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine (CID 64989716) is N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine is CNC(CCc1cc(C)c(C)cc1C)C(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine?
The InChIKey is FLAWYIPLOYVIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12-10-14(3)15(11-13(12)2)8-9-16(18-7)17(4,5)6/h10-11,16,18H,8-9H2,1-7H3.
What are the key properties of N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine?
N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine is sourced from PubChem (CID 64989716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).