4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine

C26H54N2 — CID 150627653

IUPAC4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine
SMILESCCCCCCCCC(NCC)C(NCC)(C1CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C26H54N2/c1-8-11-12-13-14-18-21-24(27-9-2)26(28-10-3,25(6,7)22(4)5)23-19-16-15-17-20-23/h22-24,27-28H,8-21H2,1-7H3
InChIKeyIXFOCJRAOSPSFO-UHFFFAOYSA-N
MW394.73 g/mol
LogP7.33
Rot. Bonds15

About 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine

4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine (PubChem CID 150627653) has the molecular formula C26H54N2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine.

Molecular Properties

Compound Name4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine
PubChem CID150627653
Molecular FormulaC26H54N2
Molecular Weight394.73 g/mol
Exact Mass394.43
IUPAC Name4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine
SMILESCCCCCCCCC(NCC)C(NCC)(C1CCCCC1)C(C)(C)C(C)C
InChIInChI=1S/C26H54N2/c1-8-11-12-13-14-18-21-24(27-9-2)26(28-10-3,25(6,7)22(4)5)23-19-16-15-17-20-23/h22-24,27-28H,8-21H2,1-7H3
InChIKeyIXFOCJRAOSPSFO-UHFFFAOYSA-N
XLogP7.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.73
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-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-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
2,3-dimethyloctan-2-ylcyclohexane;ethane
CID 143333378
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
CID 151565444
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
(2,3,3-trimethyl-4-propyloctan-2-yl)cycloheptane
CID 142984331
1,1,2-tricyclohexyldodecylphosphane
CID 67839264
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
(1,1-diethoxy-2-methyldecyl)cyclohexane
CID 151955749

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine?
The IUPAC name of 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine (CID 150627653) is 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine.
What is the SMILES notation for 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine?
The canonical SMILES for 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine is CCCCCCCCC(NCC)C(NCC)(C1CCCCC1)C(C)(C)C(C)C.
What is the InChIKey of 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine?
The InChIKey is IXFOCJRAOSPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2/c1-8-11-12-13-14-18-21-24(27-9-2)26(28-10-3,25(6,7)22(4)5)23-19-16-15-17-20-23/h22-24,27-28H,8-21H2,1-7H3.
What are the key properties of 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine?
4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine has a molecular weight of 394.73 g/mol, XLogP of 7.33, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-N,5-N-diethyl-2,3,3-trimethyltridecane-4,5-diamine is sourced from PubChem (CID 150627653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).