N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine

C20H35N — CID 66260373

IUPACN-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
SMILESCCNCCC(C)(C)CCc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H35N/c1-7-20(5,6)18-11-9-17(10-12-18)13-14-19(3,4)15-16-21-8-2/h9-12,21H,7-8,13-16H2,1-6H3
InChIKeyJKSBCCDAOPEQKA-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.33
Rot. Bonds9

About N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine

N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine (PubChem CID 66260373) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
PubChem CID66260373
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
SMILESCCNCCC(C)(C)CCc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H35N/c1-7-20(5,6)18-11-9-17(10-12-18)13-14-19(3,4)15-16-21-8-2/h9-12,21H,7-8,13-16H2,1-6H3
InChIKeyJKSBCCDAOPEQKA-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.33
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-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180
N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
CID 66259222
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
4-[4-(2-methylbutan-2-yl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 66258059
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine (CID 66260373) is N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine is CCNCCC(C)(C)CCc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The InChIKey is JKSBCCDAOPEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-20(5,6)18-11-9-17(10-12-18)13-14-19(3,4)15-16-21-8-2/h9-12,21H,7-8,13-16H2,1-6H3.
What are the key properties of N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine is sourced from PubChem (CID 66260373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).