N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide

C7H14N2 — CID 146640576

IUPACN'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
SMILESC/C=C(\N=C\N)C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(6(2)3)9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4-
InChIKeyOKCPDMGBWFLOJD-DAXSKMNVSA-N
MW126.20 g/mol
LogP1.53
Rot. Bonds2

About N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide

N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide (PubChem CID 146640576) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
PubChem CID146640576
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
SMILESC/C=C(\N=C\N)C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(6(2)3)9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4-
InChIKeyOKCPDMGBWFLOJD-DAXSKMNVSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide?
The IUPAC name of N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide (CID 146640576) is N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide is C/C=C(\N=C\N)C(C)C.
What is the InChIKey of N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide?
The InChIKey is OKCPDMGBWFLOJD-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(6(2)3)9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4-.
What are the key properties of N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide?
N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide is sourced from PubChem (CID 146640576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).