(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen

C6H12N2 — CID 143231030

IUPAC(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
SMILES[H]/N=C/C=C\C(=C)NC.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-6(8-2)4-3-5-7;/h3-5,7-8H,1H2,2H3;1H/b4-3-,7-5+;
InChIKeyGWHKSXOSRIZUHB-LMMDHOJISA-N
MW112.18 g/mol
LogP1.17
Rot. Bonds3

About (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen

(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen (PubChem CID 143231030) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
PubChem CID143231030
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
SMILES[H]/N=C/C=C\C(=C)NC.[H][H]
InChIInChI=1S/C6H10N2.H2/c1-6(8-2)4-3-5-7;/h3-5,7-8H,1H2,2H3;1H/b4-3-,7-5+;
InChIKeyGWHKSXOSRIZUHB-LMMDHOJISA-N
XLogP1.17
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
CID 143971221
cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen
CID 142915832
(Z)-4-iminobut-2-enimidoyl fluoride
CID 146392552
(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
CID 143263122
(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
CID 167090365
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
(4Z)-6-(methylamino)-3-methylidenehepta-4,6-dienoic acid
CID 178016476
hexa-2,4-dien-1-imine
CID 86115777
N,N'-dimethylbut-2-enediamide
CID 54344026
octa-2,6-dien-1-imine
CID 172654188
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
ethane;(2Z,4E)-hexa-2,4-dien-1-imine
CID 143495336

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen?
The IUPAC name of (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen (CID 143231030) is (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen.
What is the SMILES notation for (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen?
The canonical SMILES for (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen is [H]/N=C/C=C\C(=C)NC.[H][H].
What is the InChIKey of (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen?
The InChIKey is GWHKSXOSRIZUHB-LMMDHOJISA-N. The full InChI is InChI=1S/C6H10N2.H2/c1-6(8-2)4-3-5-7;/h3-5,7-8H,1H2,2H3;1H/b4-3-,7-5+;.
What are the key properties of (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen?
(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen has a molecular weight of 112.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen is sourced from PubChem (CID 143231030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).