ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen

C8H20N2 — CID 143988937

IUPACethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen
SMILESCC.[H]/N=C(C)/C(C)=C(/C)N.[H][H]
InChIInChI=1S/C6H12N2.C2H6.H2/c1-4(5(2)7)6(3)8;1-2;/h7H,8H2,1-3H3;1-2H3;1H/b6-4-,7-5+;;
InChIKeyVVKBSNAMMGPOOZ-YVCKSLIESA-N
MW144.26 g/mol
LogP2.55
Rot. Bonds1

About ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen

ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen (PubChem CID 143988937) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen
PubChem CID143988937
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nameethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen
SMILESCC.[H]/N=C(C)/C(C)=C(/C)N.[H][H]
InChIInChI=1S/C6H12N2.C2H6.H2/c1-4(5(2)7)6(3)8;1-2;/h7H,8H2,1-3H3;1-2H3;1H/b6-4-,7-5+;;
InChIKeyVVKBSNAMMGPOOZ-YVCKSLIESA-N
XLogP2.55
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.55
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 ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen?
The IUPAC name of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen (CID 143988937) is ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen?
The canonical SMILES for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen is CC.[H]/N=C(C)/C(C)=C(/C)N.[H][H].
What is the InChIKey of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen?
The InChIKey is VVKBSNAMMGPOOZ-YVCKSLIESA-N. The full InChI is InChI=1S/C6H12N2.C2H6.H2/c1-4(5(2)7)6(3)8;1-2;/h7H,8H2,1-3H3;1-2H3;1H/b6-4-,7-5+;;.
What are the key properties of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen?
ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen has a molecular weight of 144.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine;molecular hydrogen is sourced from PubChem (CID 143988937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).