(1-pentan-2-ylpiperazin-2-yl)methanamine

C10H23N3 — CID 107895649

IUPAC(1-pentan-2-ylpiperazin-2-yl)methanamine
SMILESCCCC(C)N1CCNCC1CN
InChIInChI=1S/C10H23N3/c1-3-4-9(2)13-6-5-12-8-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeySMYAOFJEJFKYQI-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.41
Rot. Bonds4

About (1-pentan-2-ylpiperazin-2-yl)methanamine

(1-pentan-2-ylpiperazin-2-yl)methanamine (PubChem CID 107895649) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is (1-pentan-2-ylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(1-pentan-2-ylpiperazin-2-yl)methanamine
PubChem CID107895649
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name(1-pentan-2-ylpiperazin-2-yl)methanamine
SMILESCCCC(C)N1CCNCC1CN
InChIInChI=1S/C10H23N3/c1-3-4-9(2)13-6-5-12-8-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeySMYAOFJEJFKYQI-UHFFFAOYSA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pentan-2-ylpiperazin-2-yl)methanamine?
The IUPAC name of (1-pentan-2-ylpiperazin-2-yl)methanamine (CID 107895649) is (1-pentan-2-ylpiperazin-2-yl)methanamine.
What is the SMILES notation for (1-pentan-2-ylpiperazin-2-yl)methanamine?
The canonical SMILES for (1-pentan-2-ylpiperazin-2-yl)methanamine is CCCC(C)N1CCNCC1CN.
What is the InChIKey of (1-pentan-2-ylpiperazin-2-yl)methanamine?
The InChIKey is SMYAOFJEJFKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-3-4-9(2)13-6-5-12-8-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of (1-pentan-2-ylpiperazin-2-yl)methanamine?
(1-pentan-2-ylpiperazin-2-yl)methanamine has a molecular weight of 185.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-2-ylpiperazin-2-yl)methanamine is sourced from PubChem (CID 107895649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).