4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine

C15H32N2O — CID 103034869

IUPAC4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CCC(C)(C)OC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-5-11-17(12-10-15(2,3)18-4)14-8-6-13(16)7-9-14/h13-14H,5-12,16H2,1-4H3
InChIKeyFNSSETBPRSLULH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.78
Rot. Bonds7

About 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 103034869) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID103034869
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CCC(C)(C)OC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-5-11-17(12-10-15(2,3)18-4)14-8-6-13(16)7-9-14/h13-14H,5-12,16H2,1-4H3
InChIKeyFNSSETBPRSLULH-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-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

4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
CID 114473388
N-(4-aminocyclohexyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103021566
4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117293
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine (CID 103034869) is 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(CCC(C)(C)OC)C1CCC(N)CC1.
What is the InChIKey of 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is FNSSETBPRSLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-11-17(12-10-15(2,3)18-4)14-8-6-13(16)7-9-14/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 103034869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).