CID 59480542

C7H17N3 — CID 59480542

IUPAC—
SMILES[CH]N(CN(C)C)CN(C)C
InChIInChI=1S/C7H17N3/c1-8(2)6-10(5)7-9(3)4/h5H,6-7H2,1-4H3
InChIKeyLIMCRFHPGAVKMP-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.00
Rot. Bonds4

About CID 59480542

CID 59480542 (PubChem CID 59480542) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol.

Molecular Properties

Compound NameCID 59480542
PubChem CID59480542
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name—
SMILES[CH]N(CN(C)C)CN(C)C
InChIInChI=1S/C7H17N3/c1-8(2)6-10(5)7-9(3)4/h5H,6-7H2,1-4H3
InChIKeyLIMCRFHPGAVKMP-UHFFFAOYSA-N
XLogP-0.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59480542?
The IUPAC name of CID 59480542 (CID 59480542) is not available.
What is the SMILES notation for CID 59480542?
The canonical SMILES for CID 59480542 is [CH]N(CN(C)C)CN(C)C.
What is the InChIKey of CID 59480542?
The InChIKey is LIMCRFHPGAVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-8(2)6-10(5)7-9(3)4/h5H,6-7H2,1-4H3.
What are the key properties of CID 59480542?
CID 59480542 has a molecular weight of 143.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59480542 is sourced from PubChem (CID 59480542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).