1-propylpiperazine-2,2-diamine

C7H18N4 — CID 69369383

IUPAC1-propylpiperazine-2,2-diamine
SMILESCCCN1CCNCC1(N)N
InChIInChI=1S/C7H18N4/c1-2-4-11-5-3-10-6-7(11,8)9/h10H,2-6,8-9H2,1H3
InChIKeyWMGBLSYWENGONV-UHFFFAOYSA-N
MW158.25 g/mol
LogP-1.13
Rot. Bonds2

About 1-propylpiperazine-2,2-diamine

1-propylpiperazine-2,2-diamine (PubChem CID 69369383) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-propylpiperazine-2,2-diamine.

Molecular Properties

Compound Name1-propylpiperazine-2,2-diamine
PubChem CID69369383
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name1-propylpiperazine-2,2-diamine
SMILESCCCN1CCNCC1(N)N
InChIInChI=1S/C7H18N4/c1-2-4-11-5-3-10-6-7(11,8)9/h10H,2-6,8-9H2,1H3
InChIKeyWMGBLSYWENGONV-UHFFFAOYSA-N
XLogP-1.13
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propylpiperazine-2,2-diamine?
The IUPAC name of 1-propylpiperazine-2,2-diamine (CID 69369383) is 1-propylpiperazine-2,2-diamine.
What is the SMILES notation for 1-propylpiperazine-2,2-diamine?
The canonical SMILES for 1-propylpiperazine-2,2-diamine is CCCN1CCNCC1(N)N.
What is the InChIKey of 1-propylpiperazine-2,2-diamine?
The InChIKey is WMGBLSYWENGONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-2-4-11-5-3-10-6-7(11,8)9/h10H,2-6,8-9H2,1H3.
What are the key properties of 1-propylpiperazine-2,2-diamine?
1-propylpiperazine-2,2-diamine has a molecular weight of 158.25 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperazine-2,2-diamine is sourced from PubChem (CID 69369383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).