N-(1-aminoethylidene)pentanimidamide

C7H15N3 — CID 58980440

IUPACN-(1-aminoethylidene)pentanimidamide
SMILES[H]/N=C(CCCC)/N=C(\C)N
InChIInChI=1S/C7H15N3/c1-3-4-5-7(9)10-6(2)8/h3-5H2,1-2H3,(H3,8,9,10)
InChIKeyQVXSRFXLTKWPKS-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.53
Rot. Bonds3

About N-(1-aminoethylidene)pentanimidamide

N-(1-aminoethylidene)pentanimidamide (PubChem CID 58980440) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-(1-aminoethylidene)pentanimidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)pentanimidamide
PubChem CID58980440
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-(1-aminoethylidene)pentanimidamide
SMILES[H]/N=C(CCCC)/N=C(\C)N
InChIInChI=1S/C7H15N3/c1-3-4-5-7(9)10-6(2)8/h3-5H2,1-2H3,(H3,8,9,10)
InChIKeyQVXSRFXLTKWPKS-UHFFFAOYSA-N
XLogP1.53
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)pentanimidamide?
The IUPAC name of N-(1-aminoethylidene)pentanimidamide (CID 58980440) is N-(1-aminoethylidene)pentanimidamide.
What is the SMILES notation for N-(1-aminoethylidene)pentanimidamide?
The canonical SMILES for N-(1-aminoethylidene)pentanimidamide is [H]/N=C(CCCC)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)pentanimidamide?
The InChIKey is QVXSRFXLTKWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-4-5-7(9)10-6(2)8/h3-5H2,1-2H3,(H3,8,9,10).
What are the key properties of N-(1-aminoethylidene)pentanimidamide?
N-(1-aminoethylidene)pentanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)pentanimidamide is sourced from PubChem (CID 58980440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).