N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine

C16H27N — CID 79417284

IUPACN,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
SMILESCNCC(CCC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-13-7-6-8-14(11-13)15(12-17-5)9-10-16(2,3)4/h6-8,11,15,17H,9-10,12H2,1-5H3
InChIKeyPIKUZPQVZYJCJR-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.12
Rot. Bonds5

About N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine

N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine (PubChem CID 79417284) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
PubChem CID79417284
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
SMILESCNCC(CCC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-13-7-6-8-14(11-13)15(12-17-5)9-10-16(2,3)4/h6-8,11,15,17H,9-10,12H2,1-5H3
InChIKeyPIKUZPQVZYJCJR-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
N-methyl-2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79416655
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine?
The IUPAC name of N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine (CID 79417284) is N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine.
What is the SMILES notation for N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine?
The canonical SMILES for N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine is CNCC(CCC(C)(C)C)c1cccc(C)c1.
What is the InChIKey of N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine?
The InChIKey is PIKUZPQVZYJCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13-7-6-8-14(11-13)15(12-17-5)9-10-16(2,3)4/h6-8,11,15,17H,9-10,12H2,1-5H3.
What are the key properties of N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine?
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine is sourced from PubChem (CID 79417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).