N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine

C19H33NO — CID 65304715

IUPACN-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H33NO/c1-15-13-16(2)18(17(3)14-15)7-8-19(4,5)9-10-20-11-12-21-6/h13-14,20H,7-12H2,1-6H3
InChIKeyMTLJQEQLBAVGCC-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.20
Rot. Bonds9

About N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine

N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine (PubChem CID 65304715) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
PubChem CID65304715
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCOCCNCCC(C)(C)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H33NO/c1-15-13-16(2)18(17(3)14-15)7-8-19(4,5)9-10-20-11-12-21-6/h13-14,20H,7-12H2,1-6H3
InChIKeyMTLJQEQLBAVGCC-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304461
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304714
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002283
5-(2,5-dibromophenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65305047
N,2,2-trimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308881
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
2,2-dimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65301160
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
2-(5-methoxypentyl)-1,3,5-trimethylbenzene
CID 143283296
2,2-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308686
2-(3-hydroperoxy-3-methylbutyl)-1,3,5-trimethylbenzene
CID 15582073

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine (CID 65304715) is N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine is COCCNCCC(C)(C)CCc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The InChIKey is MTLJQEQLBAVGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15-13-16(2)18(17(3)14-15)7-8-19(4,5)9-10-20-11-12-21-6/h13-14,20H,7-12H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine is sourced from PubChem (CID 65304715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).