N'-(2-methylpent-2-en-3-yl)ethanimidamide

C8H16N2 — CID 163623333

IUPACN'-(2-methylpent-2-en-3-yl)ethanimidamide
SMILESCCC(/N=C(\C)N)=C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(6(2)3)10-7(4)9/h5H2,1-4H3,(H2,9,10)
InChIKeyHQADZCFITKTOAN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds2

About N'-(2-methylpent-2-en-3-yl)ethanimidamide

N'-(2-methylpent-2-en-3-yl)ethanimidamide (PubChem CID 163623333) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-(2-methylpent-2-en-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylpent-2-en-3-yl)ethanimidamide
PubChem CID163623333
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-(2-methylpent-2-en-3-yl)ethanimidamide
SMILESCCC(/N=C(\C)N)=C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(6(2)3)10-7(4)9/h5H2,1-4H3,(H2,9,10)
InChIKeyHQADZCFITKTOAN-UHFFFAOYSA-N
XLogP2.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
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

N'-[(E)-3-fluoropent-2-en-2-yl]ethanimidamide
CID 154969532
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456
N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane
CID 143021132
N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide
CID 144619205
ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide
CID 145418068
N'-[(3Z)-4-amino-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 145422883
N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
CID 155206522
N'-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]ethanimidamide
CID 155311213
N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
CID 163921879
N'-[(2Z,4Z)-4,5-dimethylhepta-2,4-dien-2-yl]ethanimidamide
CID 173715707
4,5-dimethyl-3H-pyrrol-2-amine
CID 58287107

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpent-2-en-3-yl)ethanimidamide?
The IUPAC name of N'-(2-methylpent-2-en-3-yl)ethanimidamide (CID 163623333) is N'-(2-methylpent-2-en-3-yl)ethanimidamide.
What is the SMILES notation for N'-(2-methylpent-2-en-3-yl)ethanimidamide?
The canonical SMILES for N'-(2-methylpent-2-en-3-yl)ethanimidamide is CCC(/N=C(\C)N)=C(C)C.
What is the InChIKey of N'-(2-methylpent-2-en-3-yl)ethanimidamide?
The InChIKey is HQADZCFITKTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(6(2)3)10-7(4)9/h5H2,1-4H3,(H2,9,10).
What are the key properties of N'-(2-methylpent-2-en-3-yl)ethanimidamide?
N'-(2-methylpent-2-en-3-yl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpent-2-en-3-yl)ethanimidamide is sourced from PubChem (CID 163623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).