(Z)-4-iminohex-2-en-2-amine;molecular hydrogen

C6H14N2 — CID 143926317

IUPAC(Z)-4-iminohex-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C(/C=C(/C)N)CC.[H][H]
InChIInChI=1S/C6H12N2.H2/c1-3-6(8)4-5(2)7;/h4,8H,3,7H2,1-2H3;1H/b5-4-,8-6+;
InChIKeyNGHXUCOZUZXNPY-NLAQHMENSA-N
MW114.19 g/mol
LogP1.52
Rot. Bonds2

About (Z)-4-iminohex-2-en-2-amine;molecular hydrogen

(Z)-4-iminohex-2-en-2-amine;molecular hydrogen (PubChem CID 143926317) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-4-iminohex-2-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-iminohex-2-en-2-amine;molecular hydrogen
PubChem CID143926317
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(Z)-4-iminohex-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C(/C=C(/C)N)CC.[H][H]
InChIInChI=1S/C6H12N2.H2/c1-3-6(8)4-5(2)7;/h4,8H,3,7H2,1-2H3;1H/b5-4-,8-6+;
InChIKeyNGHXUCOZUZXNPY-NLAQHMENSA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-iminohex-2-en-2-amine;molecular hydrogen?
The IUPAC name of (Z)-4-iminohex-2-en-2-amine;molecular hydrogen (CID 143926317) is (Z)-4-iminohex-2-en-2-amine;molecular hydrogen.
What is the SMILES notation for (Z)-4-iminohex-2-en-2-amine;molecular hydrogen?
The canonical SMILES for (Z)-4-iminohex-2-en-2-amine;molecular hydrogen is [H]/N=C(/C=C(/C)N)CC.[H][H].
What is the InChIKey of (Z)-4-iminohex-2-en-2-amine;molecular hydrogen?
The InChIKey is NGHXUCOZUZXNPY-NLAQHMENSA-N. The full InChI is InChI=1S/C6H12N2.H2/c1-3-6(8)4-5(2)7;/h4,8H,3,7H2,1-2H3;1H/b5-4-,8-6+;.
What are the key properties of (Z)-4-iminohex-2-en-2-amine;molecular hydrogen?
(Z)-4-iminohex-2-en-2-amine;molecular hydrogen has a molecular weight of 114.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminohex-2-en-2-amine;molecular hydrogen is sourced from PubChem (CID 143926317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).