1-(4-tert-butylphenyl)decan-1-amine

C20H35N — CID 65449130

IUPAC1-(4-tert-butylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-19(21)17-13-15-18(16-14-17)20(2,3)4/h13-16,19H,5-12,21H2,1-4H3
InChIKeyOOXZPDLQQOXDQH-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.12
Rot. Bonds9

About 1-(4-tert-butylphenyl)decan-1-amine

1-(4-tert-butylphenyl)decan-1-amine (PubChem CID 65449130) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)decan-1-amine
PubChem CID65449130
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-tert-butylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-19(21)17-13-15-18(16-14-17)20(2,3)4/h13-16,19H,5-12,21H2,1-4H3
InChIKeyOOXZPDLQQOXDQH-UHFFFAOYSA-N
XLogP6.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylphenyl)decan-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

1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
4-(1-aminooctyl)aniline
CID 137458153
1-(4-iodophenyl)heptan-1-amine
CID 115833109
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-(1-aminododecyl)phenol
CID 174770403
1-phenyldecan-1-amine
CID 43175860
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)decan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)decan-1-amine (CID 65449130) is 1-(4-tert-butylphenyl)decan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)decan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)decan-1-amine is CCCCCCCCCC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)decan-1-amine?
The InChIKey is OOXZPDLQQOXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-19(21)17-13-15-18(16-14-17)20(2,3)4/h13-16,19H,5-12,21H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)decan-1-amine?
1-(4-tert-butylphenyl)decan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)decan-1-amine is sourced from PubChem (CID 65449130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).