(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide

C6H13N3 — CID 136642342

IUPAC(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide
SMILES[H]/N=C(/C=C\NC)N(C)C
InChIInChI=1S/C6H13N3/c1-8-5-4-6(7)9(2)3/h4-5,7-8H,1-3H3/b5-4-,7-6-
InChIKeyPJMFJUCVFGJBEC-RZSVFLSASA-N
MW127.19 g/mol
LogP0.26
Rot. Bonds2

About (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide

(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide (PubChem CID 136642342) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide
PubChem CID136642342
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide
SMILES[H]/N=C(/C=C\NC)N(C)C
InChIInChI=1S/C6H13N3/c1-8-5-4-6(7)9(2)3/h4-5,7-8H,1-3H3/b5-4-,7-6-
InChIKeyPJMFJUCVFGJBEC-RZSVFLSASA-N
XLogP0.26
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.26
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 (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide?
The IUPAC name of (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide (CID 136642342) is (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide is [H]/N=C(/C=C\NC)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide?
The InChIKey is PJMFJUCVFGJBEC-RZSVFLSASA-N. The full InChI is InChI=1S/C6H13N3/c1-8-5-4-6(7)9(2)3/h4-5,7-8H,1-3H3/b5-4-,7-6-.
What are the key properties of (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide?
(Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 136642342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).