N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine

C16H27N — CID 43220475

IUPACN-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-17-12-16-11-14(3)13(2)10-15(16)4/h10-11,17H,5-9,12H2,1-4H3
InChIKeyZIJFVYFCQDPTFI-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.28
Rot. Bonds7

About N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine

N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine (PubChem CID 43220475) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
PubChem CID43220475
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-17-12-16-11-14(3)13(2)10-15(16)4/h10-11,17H,5-9,12H2,1-4H3
InChIKeyZIJFVYFCQDPTFI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
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

N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-1-amine
CID 113337043
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
2-[(decylamino)methyl]-4,6-difluorophenol
CID 143926672
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine (CID 43220475) is N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine is CCCCCCNCc1cc(C)c(C)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine?
The InChIKey is ZIJFVYFCQDPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-8-9-17-12-16-11-14(3)13(2)10-15(16)4/h10-11,17H,5-9,12H2,1-4H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine?
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine has a molecular weight of 233.40 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 N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 43220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).