3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine

C18H31N — CID 81015450

IUPAC3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CC(C)CCNCC(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-13(2)12-19-8-7-14(3)11-18-16(5)9-15(4)10-17(18)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3
InChIKeyOSRCXHAXOLXGOU-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.43
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine

3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 81015450) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID81015450
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CC(C)CCNCC(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-13(2)12-19-8-7-14(3)11-18-16(5)9-15(4)10-17(18)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3
InChIKeyOSRCXHAXOLXGOU-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.43
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

5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
1,3-difluoro-5-methylbenzene;N'-(2-methylpropyl)propane-1,3-diamine
CID 142349945
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63523301
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303435
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63521679
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine (CID 81015450) is 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine is Cc1cc(C)c(CC(C)CCNCC(C)C)c(C)c1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is OSRCXHAXOLXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13(2)12-19-8-7-14(3)11-18-16(5)9-15(4)10-17(18)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine?
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 81015450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).