(2Z)-2-(aminomethylidene)-3-methylbutanimidamide

C6H13N3 — CID 136607996

IUPAC(2Z)-2-(aminomethylidene)-3-methylbutanimidamide
SMILES[H]/N=C(N)/C(=C\N)C(C)C
InChIInChI=1S/C6H13N3/c1-4(2)5(3-7)6(8)9/h3-4H,7H2,1-2H3,(H3,8,9)/b5-3-
InChIKeyKSKTYCLNNLLIGR-HYXAFXHYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds2

About (2Z)-2-(aminomethylidene)-3-methylbutanimidamide

(2Z)-2-(aminomethylidene)-3-methylbutanimidamide (PubChem CID 136607996) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-3-methylbutanimidamide.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-3-methylbutanimidamide
PubChem CID136607996
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(2Z)-2-(aminomethylidene)-3-methylbutanimidamide
SMILES[H]/N=C(N)/C(=C\N)C(C)C
InChIInChI=1S/C6H13N3/c1-4(2)5(3-7)6(8)9/h3-4H,7H2,1-2H3,(H3,8,9)/b5-3-
InChIKeyKSKTYCLNNLLIGR-HYXAFXHYSA-N
XLogP0.42
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
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 (2Z)-2-(aminomethylidene)-3-methylbutanimidamide?
The IUPAC name of (2Z)-2-(aminomethylidene)-3-methylbutanimidamide (CID 136607996) is (2Z)-2-(aminomethylidene)-3-methylbutanimidamide.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-3-methylbutanimidamide?
The canonical SMILES for (2Z)-2-(aminomethylidene)-3-methylbutanimidamide is [H]/N=C(N)/C(=C\N)C(C)C.
What is the InChIKey of (2Z)-2-(aminomethylidene)-3-methylbutanimidamide?
The InChIKey is KSKTYCLNNLLIGR-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4(2)5(3-7)6(8)9/h3-4H,7H2,1-2H3,(H3,8,9)/b5-3-.
What are the key properties of (2Z)-2-(aminomethylidene)-3-methylbutanimidamide?
(2Z)-2-(aminomethylidene)-3-methylbutanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-3-methylbutanimidamide is sourced from PubChem (CID 136607996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).