1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine

C15H26N2 — CID 62066764

IUPAC1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-10-17-14(11-16)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeySQSYLPIDCOOIPN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine

1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine (PubChem CID 62066764) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
PubChem CID62066764
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-10-17-14(11-16)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeySQSYLPIDCOOIPN-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine 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

2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
N-[1-(4-tert-butylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79323052
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine (CID 62066764) is 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine is CCCNC(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is SQSYLPIDCOOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-10-17-14(11-16)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,17H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62066764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).