(Z)-3-methylpent-2-enimidamide;molecular hydrogen

C6H14N2 — CID 142337046

IUPAC(Z)-3-methylpent-2-enimidamide;molecular hydrogen
SMILES[H]/N=C(N)/C=C(/C)CC.[H][H]
InChIInChI=1S/C6H12N2.H2/c1-3-5(2)4-6(7)8;/h4H,3H2,1-2H3,(H3,7,8);1H/b5-4-;
InChIKeyZSFSPQNCMIKAQS-MKWAYWHRSA-N
MW114.19 g/mol
LogP1.52
Rot. Bonds2

About (Z)-3-methylpent-2-enimidamide;molecular hydrogen

(Z)-3-methylpent-2-enimidamide;molecular hydrogen (PubChem CID 142337046) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-3-methylpent-2-enimidamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-3-methylpent-2-enimidamide;molecular hydrogen
PubChem CID142337046
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(Z)-3-methylpent-2-enimidamide;molecular hydrogen
SMILES[H]/N=C(N)/C=C(/C)CC.[H][H]
InChIInChI=1S/C6H12N2.H2/c1-3-5(2)4-6(7)8;/h4H,3H2,1-2H3,(H3,7,8);1H/b5-4-;
InChIKeyZSFSPQNCMIKAQS-MKWAYWHRSA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
CID 170098117
Pent-2-enimidamide
CID 34180092
3-Methylbut-2-enimidamide
CID 54539101
2-Methylidenepent-3-enimidamide
CID 57266179
(Z)-4-iminopent-2-enimidamide
CID 59089737
2,3-Dimethylpyrrole-2,5-diamine
CID 68087783
CID 74821450
CID 74821450
(Z)-pent-2-enimidamide
CID 96869220
(2Z,4Z)-4-methylhexa-2,4-dienimidamide
CID 118219398
Hex-2-enimidamide
CID 123661691
(2Z)-N'-amino-3,5-dimethylhexa-2,4-dienimidamide
CID 126536492
(2E)-hepta-2,6-dienimidamide
CID 134446156

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylpent-2-enimidamide;molecular hydrogen?
The IUPAC name of (Z)-3-methylpent-2-enimidamide;molecular hydrogen (CID 142337046) is (Z)-3-methylpent-2-enimidamide;molecular hydrogen.
What is the SMILES notation for (Z)-3-methylpent-2-enimidamide;molecular hydrogen?
The canonical SMILES for (Z)-3-methylpent-2-enimidamide;molecular hydrogen is [H]/N=C(N)/C=C(/C)CC.[H][H].
What is the InChIKey of (Z)-3-methylpent-2-enimidamide;molecular hydrogen?
The InChIKey is ZSFSPQNCMIKAQS-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H12N2.H2/c1-3-5(2)4-6(7)8;/h4H,3H2,1-2H3,(H3,7,8);1H/b5-4-;.
What are the key properties of (Z)-3-methylpent-2-enimidamide;molecular hydrogen?
(Z)-3-methylpent-2-enimidamide;molecular hydrogen has a molecular weight of 114.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-2-enimidamide;molecular hydrogen is sourced from PubChem (CID 142337046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).