(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine

C13H23N3 — CID 65392017

IUPAC(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-13(2)7-4-10(5-8-13)12(14)11-6-9-15-16(11)3/h6,9-10,12H,4-5,7-8,14H2,1-3H3
InChIKeySAINUUAYKNOGLY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.64
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine

(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 65392017) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID65392017
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-13(2)7-4-10(5-8-13)12(14)11-6-9-15-16(11)3/h6,9-10,12H,4-5,7-8,14H2,1-3H3
InChIKeySAINUUAYKNOGLY-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine (CID 65392017) is (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)C1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is SAINUUAYKNOGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2)7-4-10(5-8-13)12(14)11-6-9-15-16(11)3/h6,9-10,12H,4-5,7-8,14H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine?
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 65392017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).