(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen

C12H27N3O — CID 145282388

IUPAC(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen
SMILESCC(=O)NCC(C)C.[H]/N=C(C)/C=C\CNC.[H][H]
InChIInChI=1S/C6H12N2.C6H13NO.H2/c1-6(7)4-3-5-8-2;1-5(2)4-7-6(3)8;/h3-4,7-8H,5H2,1-2H3;5H,4H2,1-3H3,(H,7,8);1H/b4-3-,7-6+;;
InChIKeyFPBRLGDCGLNFRG-LYTRGJKYSA-N
MW229.37 g/mol
LogP1.83
Rot. Bonds5

About (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen

(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen (PubChem CID 145282388) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen
PubChem CID145282388
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen
SMILESCC(=O)NCC(C)C.[H]/N=C(C)/C=C\CNC.[H][H]
InChIInChI=1S/C6H12N2.C6H13NO.H2/c1-6(7)4-3-5-8-2;1-5(2)4-7-6(3)8;/h3-4,7-8H,5H2,1-2H3;5H,4H2,1-3H3,(H,7,8);1H/b4-3-,7-6+;;
InChIKeyFPBRLGDCGLNFRG-LYTRGJKYSA-N
XLogP1.83
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen?
The IUPAC name of (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen (CID 145282388) is (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen.
What is the SMILES notation for (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen?
The canonical SMILES for (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen is CC(=O)NCC(C)C.[H]/N=C(C)/C=C\CNC.[H][H].
What is the InChIKey of (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen?
The InChIKey is FPBRLGDCGLNFRG-LYTRGJKYSA-N. The full InChI is InChI=1S/C6H12N2.C6H13NO.H2/c1-6(7)4-3-5-8-2;1-5(2)4-7-6(3)8;/h3-4,7-8H,5H2,1-2H3;5H,4H2,1-3H3,(H,7,8);1H/b4-3-,7-6+;;.
What are the key properties of (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen?
(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen has a molecular weight of 229.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen is sourced from PubChem (CID 145282388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).