1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine

C18H32N2 — CID 66454727

IUPAC1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-7-13-19-15(3)18(4,5)14-20(6)17-11-9-16(8-2)10-12-17/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyZATFQHOCLHROKW-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.10
Rot. Bonds8

About 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine

1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 66454727) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
PubChem CID66454727
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-7-13-19-15(3)18(4,5)14-20(6)17-11-9-16(8-2)10-12-17/h9-12,15,19H,7-8,13-14H2,1-6H3
InChIKeyZATFQHOCLHROKW-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-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

1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
3-N-ethyl-1-N,2,2-trimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66454941
4-[[3-(ethylamino)-2,2-dimethylbutyl]-methylamino]phenol
CID 66453390
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
CID 62001526
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
CID 66453458
1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453646
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (CID 66454727) is 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)c1ccc(CC)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is ZATFQHOCLHROKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-13-19-15(3)18(4,5)14-20(6)17-11-9-16(8-2)10-12-17/h9-12,15,19H,7-8,13-14H2,1-6H3.
What are the key properties of 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66454727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).