1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C16H29N3O — CID 103012565

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOC1(C(N)CCc2cnn(C)c2)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-15(2)7-9-16(20-4,10-8-15)14(17)6-5-13-11-18-19(3)12-13/h11-12,14H,5-10,17H2,1-4H3
InChIKeyYWAUWOPTBXCHRH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103012565) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103012565
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOC1(C(N)CCc2cnn(C)c2)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-15(2)7-9-16(20-4,10-8-15)14(17)6-5-13-11-18-19(3)12-13/h11-12,14H,5-10,17H2,1-4H3
InChIKeyYWAUWOPTBXCHRH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine 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-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103012565) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is COC1(C(N)CCc2cnn(C)c2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is YWAUWOPTBXCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-15(2)7-9-16(20-4,10-8-15)14(17)6-5-13-11-18-19(3)12-13/h11-12,14H,5-10,17H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103012565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).