1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine

C17H30N4O — CID 71975026

IUPAC1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine
SMILESCn1cc(CNCC2(CN3CCOCC3)CCCCC2)cn1
InChIInChI=1S/C17H30N4O/c1-20-13-16(12-19-20)11-18-14-17(5-3-2-4-6-17)15-21-7-9-22-10-8-21/h12-13,18H,2-11,14-15H2,1H3
InChIKeyRSDWFGPUSVEFIZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.79
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine

1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine (PubChem CID 71975026) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine
PubChem CID71975026
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine
SMILESCn1cc(CNCC2(CN3CCOCC3)CCCCC2)cn1
InChIInChI=1S/C17H30N4O/c1-20-13-16(12-19-20)11-18-14-17(5-3-2-4-6-17)15-21-7-9-22-10-8-21/h12-13,18H,2-11,14-15H2,1H3
InChIKeyRSDWFGPUSVEFIZ-UHFFFAOYSA-N
XLogP1.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine with MolForge

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Related Compounds

N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
CID 71860476
1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine
CID 167789357
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 103741109
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
CID 71975516
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine (CID 71975026) is 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine is Cn1cc(CNCC2(CN3CCOCC3)CCCCC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine?
The InChIKey is RSDWFGPUSVEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-20-13-16(12-19-20)11-18-14-17(5-3-2-4-6-17)15-21-7-9-22-10-8-21/h12-13,18H,2-11,14-15H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine?
1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine has a molecular weight of 306.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine is sourced from PubChem (CID 71975026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).