N-butylidene-2-iminoethanimidamide

C6H11N3 — CID 153377695

IUPACN-butylidene-2-iminoethanimidamide
SMILES[H]/N=C/C(/N=C/CCC)=N\[H]
InChIInChI=1S/C6H11N3/c1-2-3-4-9-6(8)5-7/h4-5,7-8H,2-3H2,1H3/b7-5+,8-6+,9-4+
InChIKeyWSNBJAPKQUOIHP-NPZBPWIKSA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds3

About N-butylidene-2-iminoethanimidamide

N-butylidene-2-iminoethanimidamide (PubChem CID 153377695) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-butylidene-2-iminoethanimidamide.

Molecular Properties

Compound NameN-butylidene-2-iminoethanimidamide
PubChem CID153377695
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-butylidene-2-iminoethanimidamide
SMILES[H]/N=C/C(/N=C/CCC)=N\[H]
InChIInChI=1S/C6H11N3/c1-2-3-4-9-6(8)5-7/h4-5,7-8H,2-3H2,1H3/b7-5+,8-6+,9-4+
InChIKeyWSNBJAPKQUOIHP-NPZBPWIKSA-N
XLogP1.48
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-butylidene-2-iminoethanimidamide?
The IUPAC name of N-butylidene-2-iminoethanimidamide (CID 153377695) is N-butylidene-2-iminoethanimidamide.
What is the SMILES notation for N-butylidene-2-iminoethanimidamide?
The canonical SMILES for N-butylidene-2-iminoethanimidamide is [H]/N=C/C(/N=C/CCC)=N\[H].
What is the InChIKey of N-butylidene-2-iminoethanimidamide?
The InChIKey is WSNBJAPKQUOIHP-NPZBPWIKSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-4-9-6(8)5-7/h4-5,7-8H,2-3H2,1H3/b7-5+,8-6+,9-4+.
What are the key properties of N-butylidene-2-iminoethanimidamide?
N-butylidene-2-iminoethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylidene-2-iminoethanimidamide is sourced from PubChem (CID 153377695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).