2-(4-hexylpiperazin-1-yl)propan-1-amine

C13H29N3 — CID 63340593

IUPAC2-(4-hexylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCN1CCN(C(C)CN)CC1
InChIInChI=1S/C13H29N3/c1-3-4-5-6-7-15-8-10-16(11-9-15)13(2)12-14/h13H,3-12,14H2,1-2H3
InChIKeyIOQRBTOLIMDUDP-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds7

About 2-(4-hexylpiperazin-1-yl)propan-1-amine

2-(4-hexylpiperazin-1-yl)propan-1-amine (PubChem CID 63340593) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(4-hexylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-hexylpiperazin-1-yl)propan-1-amine
PubChem CID63340593
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-(4-hexylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCN1CCN(C(C)CN)CC1
InChIInChI=1S/C13H29N3/c1-3-4-5-6-7-15-8-10-16(11-9-15)13(2)12-14/h13H,3-12,14H2,1-2H3
InChIKeyIOQRBTOLIMDUDP-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
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

2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
(4-hexylpiperazin-1-yl)methanedithiol
CID 58131417
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
1-hexylpyrrolidine;propan-2-amine
CID 166169325

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-(4-hexylpiperazin-1-yl)propan-1-amine (CID 63340593) is 2-(4-hexylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-(4-hexylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-(4-hexylpiperazin-1-yl)propan-1-amine is CCCCCCN1CCN(C(C)CN)CC1.
What is the InChIKey of 2-(4-hexylpiperazin-1-yl)propan-1-amine?
The InChIKey is IOQRBTOLIMDUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-4-5-6-7-15-8-10-16(11-9-15)13(2)12-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 2-(4-hexylpiperazin-1-yl)propan-1-amine?
2-(4-hexylpiperazin-1-yl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63340593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).