(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine

C16H29N3O — CID 116769075

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-11-19-12-10-18-14(19)13(17)16(20-4)8-6-15(2,3)7-9-16/h10,12-13H,5-9,11,17H2,1-4H3
InChIKeyZFZBPEPJESUNES-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.28
Rot. Bonds5

About (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine

(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 116769075) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
PubChem CID116769075
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-11-19-12-10-18-14(19)13(17)16(20-4)8-6-15(2,3)7-9-16/h10,12-13H,5-9,11,17H2,1-4H3
InChIKeyZFZBPEPJESUNES-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine 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-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769124
(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116768061
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
2-cyclopropyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 116723094
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817
[2-methoxy-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105207224
[2,2-difluoro-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105265098

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine (CID 116769075) is (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is ZFZBPEPJESUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-11-19-12-10-18-14(19)13(17)16(20-4)8-6-15(2,3)7-9-16/h10,12-13H,5-9,11,17H2,1-4H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 116769075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).