N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C16H28N4O — CID 28882236

IUPACN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCN(Cc1ccn[nH]1)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-19(13-15-5-8-17-18-15)14-16(6-3-2-4-7-16)20-9-11-21-12-10-20/h5,8H,2-4,6-7,9-14H2,1H3,(H,17,18)
InChIKeyWXILJEXLXSJRJJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 28882236) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID28882236
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCN(Cc1ccn[nH]1)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-19(13-15-5-8-17-18-15)14-16(6-3-2-4-7-16)20-9-11-21-12-10-20/h5,8H,2-4,6-7,9-14H2,1H3,(H,17,18)
InChIKeyWXILJEXLXSJRJJ-UHFFFAOYSA-N
XLogP1.88
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 28882236) is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine is CN(Cc1ccn[nH]1)CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is WXILJEXLXSJRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19(13-15-5-8-17-18-15)14-16(6-3-2-4-7-16)20-9-11-21-12-10-20/h5,8H,2-4,6-7,9-14H2,1H3,(H,17,18).
What are the key properties of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 28882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).