5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine

C11H21N3 — CID 43662393

IUPAC5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccn[nH]1
InChIInChI=1S/C11H21N3/c1-9(2)4-5-10(3)12-8-11-6-7-13-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyJYCQPGKJUVDYTA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.32
Rot. Bonds6

About 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine

5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine (PubChem CID 43662393) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine
PubChem CID43662393
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccn[nH]1
InChIInChI=1S/C11H21N3/c1-9(2)4-5-10(3)12-8-11-6-7-13-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyJYCQPGKJUVDYTA-UHFFFAOYSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine (CID 43662393) is 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine is CC(C)CCC(C)NCc1ccn[nH]1.
What is the InChIKey of 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine?
The InChIKey is JYCQPGKJUVDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)4-5-10(3)12-8-11-6-7-13-14-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine?
5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-pyrazol-5-ylmethyl)hexan-2-amine is sourced from PubChem (CID 43662393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).