N-[(Z)-2-methylpent-2-enylidene]methanimidamide

C7H12N2 — CID 142076313

IUPACN-[(Z)-2-methylpent-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-7(2)5-9-6-8/h4-6,8H,3H2,1-2H3/b7-4-,8-6+,9-5+
InChIKeyLBQYZTPMWNXQCW-RSOCWDBNSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds3

About N-[(Z)-2-methylpent-2-enylidene]methanimidamide

N-[(Z)-2-methylpent-2-enylidene]methanimidamide (PubChem CID 142076313) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-2-methylpent-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-methylpent-2-enylidene]methanimidamide
PubChem CID142076313
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-2-methylpent-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-7(2)5-9-6-8/h4-6,8H,3H2,1-2H3/b7-4-,8-6+,9-5+
InChIKeyLBQYZTPMWNXQCW-RSOCWDBNSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
5-Ethylpyridine-2,3-diimine
CID 68028389
N,2-dimethylpent-2-en-1-imine
CID 85970945
(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 87981948
5-Methyl-2,3-dihydropyridin-2-amine
CID 89227049
(3Z)-3-ethylidenepyridin-2-imine
CID 89254996
N-[(Z)-hex-3-enylidene]methanimidamide
CID 89283748
N-[(Z)-2-methylbut-2-enylidene]methanimidamide
CID 89661481
(Z)-N,2-dimethylpent-2-en-1-imine
CID 90883459
(E)-2-methylpent-2-en-1-imine
CID 91438112
N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
CID 117804999
N-[(Z)-2-methylbut-2-enylidene]ethanimidamide
CID 118018706

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The IUPAC name of N-[(Z)-2-methylpent-2-enylidene]methanimidamide (CID 142076313) is N-[(Z)-2-methylpent-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The canonical SMILES for N-[(Z)-2-methylpent-2-enylidene]methanimidamide is [H]/N=C/N=C/C(C)=C\CC.
What is the InChIKey of N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
The InChIKey is LBQYZTPMWNXQCW-RSOCWDBNSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-7(2)5-9-6-8/h4-6,8H,3H2,1-2H3/b7-4-,8-6+,9-5+.
What are the key properties of N-[(Z)-2-methylpent-2-enylidene]methanimidamide?
N-[(Z)-2-methylpent-2-enylidene]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylpent-2-enylidene]methanimidamide is sourced from PubChem (CID 142076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).