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

C20H35N — CID 65304714

IUPACN-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCc1cc(C)c(CCC(C)(C)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C20H35N/c1-15-13-16(2)18(17(3)14-15)9-10-20(7,8)11-12-21-19(4,5)6/h13-14,21H,9-12H2,1-8H3
InChIKeyHILZSWSVAADOQS-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.35
Rot. Bonds6

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

N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine (PubChem CID 65304714) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
PubChem CID65304714
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCc1cc(C)c(CCC(C)(C)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C20H35N/c1-15-13-16(2)18(17(3)14-15)9-10-20(7,8)11-12-21-19(4,5)6/h13-14,21H,9-12H2,1-8H3
InChIKeyHILZSWSVAADOQS-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine (CID 65304714) is N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine is Cc1cc(C)c(CCC(C)(C)CCNC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
The InChIKey is HILZSWSVAADOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-15-13-16(2)18(17(3)14-15)9-10-20(7,8)11-12-21-19(4,5)6/h13-14,21H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine?
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine is sourced from PubChem (CID 65304714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).