1-pentylpiperazine;quinazolin-2-amine

C17H27N5 — CID 175024376

IUPAC1-pentylpiperazine;quinazolin-2-amine
SMILESCCCCCN1CCNCC1.Nc1ncc2ccccc2n1
InChIInChI=1S/C9H20N2.C8H7N3/c1-2-3-4-7-11-8-5-10-6-9-11;9-8-10-5-6-3-1-2-4-7(6)11-8/h10H,2-9H2,1H3;1-5H,(H2,9,10,11)
InChIKeyOCHSHPWTWUSDQL-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.29
Rot. Bonds4

About 1-pentylpiperazine;quinazolin-2-amine

1-pentylpiperazine;quinazolin-2-amine (PubChem CID 175024376) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-pentylpiperazine;quinazolin-2-amine.

Molecular Properties

Compound Name1-pentylpiperazine;quinazolin-2-amine
PubChem CID175024376
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-pentylpiperazine;quinazolin-2-amine
SMILESCCCCCN1CCNCC1.Nc1ncc2ccccc2n1
InChIInChI=1S/C9H20N2.C8H7N3/c1-2-3-4-7-11-8-5-10-6-9-11;9-8-10-5-6-3-1-2-4-7(6)11-8/h10H,2-9H2,1H3;1-5H,(H2,9,10,11)
InChIKeyOCHSHPWTWUSDQL-UHFFFAOYSA-N
XLogP2.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2H-benzotriazole;1-pentylpiperazine
CID 174694727
1-pentylpiperazine;toluene
CID 68982278
1-tricosylpiperazine
CID 130183651
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
CID 69384441
ethane;1-octylpiperazine
CID 144711845
3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
diazanium;1-docosylpiperazine;dibromide
CID 157305429
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
CID 28808292

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperazine;quinazolin-2-amine?
The IUPAC name of 1-pentylpiperazine;quinazolin-2-amine (CID 175024376) is 1-pentylpiperazine;quinazolin-2-amine.
What is the SMILES notation for 1-pentylpiperazine;quinazolin-2-amine?
The canonical SMILES for 1-pentylpiperazine;quinazolin-2-amine is CCCCCN1CCNCC1.Nc1ncc2ccccc2n1.
What is the InChIKey of 1-pentylpiperazine;quinazolin-2-amine?
The InChIKey is OCHSHPWTWUSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H7N3/c1-2-3-4-7-11-8-5-10-6-9-11;9-8-10-5-6-3-1-2-4-7(6)11-8/h10H,2-9H2,1H3;1-5H,(H2,9,10,11).
What are the key properties of 1-pentylpiperazine;quinazolin-2-amine?
1-pentylpiperazine;quinazolin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperazine;quinazolin-2-amine is sourced from PubChem (CID 175024376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).