1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H30N4O — CID 114657103

IUPAC1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(c1c(OC)cnn1C)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H30N4O/c1-12-8-7-9-16(10-12,19(3)4)15(17-2)14-13(21-6)11-18-20(14)5/h11-12,15,17H,7-10H2,1-6H3
InChIKeyFIEHDCUPEGVOIO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.20
Rot. Bonds5

About 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 114657103) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID114657103
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(c1c(OC)cnn1C)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H30N4O/c1-12-8-7-9-16(10-12,19(3)4)15(17-2)14-13(21-6)11-18-20(14)5/h11-12,15,17H,7-10H2,1-6H3
InChIKeyFIEHDCUPEGVOIO-UHFFFAOYSA-N
XLogP2.20
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
N,N-diethyl-1-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclopentan-1-amine
CID 105242695
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
N,N,3-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011187
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243737
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107560479
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105047047

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 114657103) is 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CNC(c1c(OC)cnn1C)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is FIEHDCUPEGVOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12-8-7-9-16(10-12,19(3)4)15(17-2)14-13(21-6)11-18-20(14)5/h11-12,15,17H,7-10H2,1-6H3.
What are the key properties of 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 114657103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).