5-(4-methylpiperazin-1-yl)pentan-1-amine

C10H23N3 — CID 7138463

IUPAC5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(CCCCCN)CC1
InChIInChI=1S/C10H23N3/c1-12-7-9-13(10-8-12)6-4-2-3-5-11/h2-11H2,1H3
InChIKeyXMYJIRKAMFCJSV-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)pentan-1-amine

5-(4-methylpiperazin-1-yl)pentan-1-amine (PubChem CID 7138463) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)pentan-1-amine
PubChem CID7138463
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(CCCCCN)CC1
InChIInChI=1S/C10H23N3/c1-12-7-9-13(10-8-12)6-4-2-3-5-11/h2-11H2,1H3
InChIKeyXMYJIRKAMFCJSV-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
N-(2-Aminoethyl)piperidine
CID 33944
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
Piperidine-1-propylamine
CID 19049
3-amino-N-ethylpiperidine
CID 98094
1-Decylpiperazine
CID 230544
1-Nonylpiperazine
CID 2737098
1-Octylpiperazine
CID 2737099
1-Pentylpiperazine
CID 2737112
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
4-(Piperidin-1-yl)butan-1-amine
CID 6484144

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)pentan-1-amine (CID 7138463) is 5-(4-methylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)pentan-1-amine is CN1CCN(CCCCCN)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)pentan-1-amine?
The InChIKey is XMYJIRKAMFCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-12-7-9-13(10-8-12)6-4-2-3-5-11/h2-11H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)pentan-1-amine?
5-(4-methylpiperazin-1-yl)pentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 7138463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).