N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

C16H29N3 — CID 103753035

IUPACN-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1(C)CCCCC1
InChIInChI=1S/C16H29N3/c1-13(2)15-14(11-19(4)18-15)10-17-12-16(3)8-6-5-7-9-16/h11,13,17H,5-10,12H2,1-4H3
InChIKeyCNJYUNJXJBMZTO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.60
Rot. Bonds5

About N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 103753035) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID103753035
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1(C)CCCCC1
InChIInChI=1S/C16H29N3/c1-13(2)15-14(11-19(4)18-15)10-17-12-16(3)8-6-5-7-9-16/h11,13,17H,5-10,12H2,1-4H3
InChIKeyCNJYUNJXJBMZTO-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103887742
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 103991912
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 113491027
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (CID 103753035) is N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is CC(C)c1nn(C)cc1CNCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is CNJYUNJXJBMZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)15-14(11-19(4)18-15)10-17-12-16(3)8-6-5-7-9-16/h11,13,17H,5-10,12H2,1-4H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103753035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).