2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 43663217

IUPAC2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccnn2C)C1C
InChIInChI=1S/C13H23N3/c1-10-5-4-6-13(11(10)2)14-9-12-7-8-15-16(12)3/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyDCNGBPFPPRICNP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.33
Rot. Bonds3

About 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 43663217) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID43663217
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccnn2C)C1C
InChIInChI=1S/C13H23N3/c1-10-5-4-6-13(11(10)2)14-9-12-7-8-15-16(12)3/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyDCNGBPFPPRICNP-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 43663217) is 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is CC1CCCC(NCc2ccnn2C)C1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is DCNGBPFPPRICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-5-4-6-13(11(10)2)14-9-12-7-8-15-16(12)3/h7-8,10-11,13-14H,4-6,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43663217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).