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

C9H18N2 — CID 163921879

IUPACN'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
SMILESCC/C(C)=C(C)\N=C(\N)CC
InChIInChI=1S/C9H18N2/c1-5-7(3)8(4)11-9(10)6-2/h5-6H2,1-4H3,(H2,10,11)/b8-7-
InChIKeyRBBZRUYKUXSZCR-FPLPWBNLSA-N
MW154.26 g/mol
LogP2.46
Rot. Bonds3

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

N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide (PubChem CID 163921879) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
PubChem CID163921879
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
SMILESCC/C(C)=C(C)\N=C(\N)CC
InChIInChI=1S/C9H18N2/c1-5-7(3)8(4)11-9(10)6-2/h5-6H2,1-4H3,(H2,10,11)/b8-7-
InChIKeyRBBZRUYKUXSZCR-FPLPWBNLSA-N
XLogP2.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.46
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

5-Ethyl-3,4-dihydropyrrol-4-id-2-amine;rubidium(1+)
CID 60044685
5-Ethyl-3,4-dihydropyrrol-4-id-2-amine;rhenium
CID 60044723
N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
CID 138719539
N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane
CID 143303381
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'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
CID 155206522
N'-(2-methylpent-2-en-3-yl)ethanimidamide
CID 163623333
N'-[(E)-pent-2-en-3-yl]propanimidamide
CID 167121430
4,5-dimethyl-3H-pyrrol-2-amine
CID 58287107
N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide
CID 143303382
N'-(3-methylbut-2-en-2-yl)butanimidamide
CID 145418069

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide?
The IUPAC name of N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide (CID 163921879) is N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide.
What is the SMILES notation for N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide?
The canonical SMILES for N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide is CC/C(C)=C(C)\N=C(\N)CC.
What is the InChIKey of N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide?
The InChIKey is RBBZRUYKUXSZCR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7(3)8(4)11-9(10)6-2/h5-6H2,1-4H3,(H2,10,11)/b8-7-.
What are the key properties of N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide?
N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide is sourced from PubChem (CID 163921879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).