2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

C13H23N3 — CID 61003066

IUPAC2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1C(C)CCCC1C
InChIInChI=1S/C13H23N3/c1-9-5-4-6-10(2)13(9)14-7-12-8-15-16-11(12)3/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)
InChIKeyJWZPZCSNBWYHBQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.63
Rot. Bonds3

About 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 61003066) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID61003066
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1C(C)CCCC1C
InChIInChI=1S/C13H23N3/c1-9-5-4-6-10(2)13(9)14-7-12-8-15-16-11(12)3/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)
InChIKeyJWZPZCSNBWYHBQ-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (CID 61003066) is 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is Cc1[nH]ncc1CNC1C(C)CCCC1C.
What is the InChIKey of 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is JWZPZCSNBWYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-5-4-6-10(2)13(9)14-7-12-8-15-16-11(12)3/h8-10,13-14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61003066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).