N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine

C20H35N — CID 82925737

IUPACN-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
SMILESCCC(CC)CC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C20H35N/c1-7-17(8-2)13-19(15-21-20(4,5)6)14-18-11-9-16(3)10-12-18/h9-12,17,19,21H,7-8,13-15H2,1-6H3
InChIKeyPUGKCZWUNYXUNB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.37
Rot. Bonds8

About N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine

N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine (PubChem CID 82925737) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
PubChem CID82925737
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
SMILESCCC(CC)CC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C20H35N/c1-7-17(8-2)13-19(15-21-20(4,5)6)14-18-11-9-16(3)10-12-18/h9-12,17,19,21H,7-8,13-15H2,1-6H3
InChIKeyPUGKCZWUNYXUNB-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
N-tert-butyl-3-methyl-4-(4-methylphenyl)butan-1-amine
CID 81018614
4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
CID 55195254

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine (CID 82925737) is N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine is CCC(CC)CC(CNC(C)(C)C)Cc1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine?
The InChIKey is PUGKCZWUNYXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-17(8-2)13-19(15-21-20(4,5)6)14-18-11-9-16(3)10-12-18/h9-12,17,19,21H,7-8,13-15H2,1-6H3.
What are the key properties of N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine?
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 82925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).