1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C16H29N3O — CID 116766518

IUPAC1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2(OC)CCC(C)CC2)cn1
InChIInChI=1S/C16H29N3O/c1-5-10-19-12-14(11-18-19)15(17-3)16(20-4)8-6-13(2)7-9-16/h11-13,15,17H,5-10H2,1-4H3
InChIKeyPGDWWTLZOHGKKU-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.15
Rot. Bonds6

About 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 116766518) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID116766518
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)C2(OC)CCC(C)CC2)cn1
InChIInChI=1S/C16H29N3O/c1-5-10-19-12-14(11-18-19)15(17-3)16(20-4)8-6-13(2)7-9-16/h11-13,15,17H,5-10H2,1-4H3
InChIKeyPGDWWTLZOHGKKU-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-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

[(1-methoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105268662
1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767747
[(1-methoxycyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105275993
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
CID 116714074
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 103573501
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 116767095
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 116766518) is 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)C2(OC)CCC(C)CC2)cn1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is PGDWWTLZOHGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-10-19-12-14(11-18-19)15(17-3)16(20-4)8-6-13(2)7-9-16/h11-13,15,17H,5-10H2,1-4H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 116766518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).