N'-methyl-N-(2-methylbut-2-enyl)propanimidamide

C9H18N2 — CID 123564371

IUPACN'-methyl-N-(2-methylbut-2-enyl)propanimidamide
SMILESCC=C(C)CN/C(CC)=N/C
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11-9(6-2)10-4/h5H,6-7H2,1-4H3,(H,10,11)
InChIKeyQIIJRCOTXKDIBV-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds3

About N'-methyl-N-(2-methylbut-2-enyl)propanimidamide

N'-methyl-N-(2-methylbut-2-enyl)propanimidamide (PubChem CID 123564371) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-methyl-N-(2-methylbut-2-enyl)propanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylbut-2-enyl)propanimidamide
PubChem CID123564371
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-methyl-N-(2-methylbut-2-enyl)propanimidamide
SMILESCC=C(C)CN/C(CC)=N/C
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11-9(6-2)10-4/h5H,6-7H2,1-4H3,(H,10,11)
InChIKeyQIIJRCOTXKDIBV-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 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 ≤ 51.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
N',2-dimethyl-N-prop-2-enylpropanimidamide
CID 12683077
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742
N-propan-2-yl-N'-prop-2-enyl-3-(prop-2-enylamino)propanimidamide
CID 88113944
N-tert-butyl-N'-prop-2-enyl-3-(prop-2-enylamino)propanimidamide
CID 88114730
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
N'-methyl-N-[2-(propylamino)ethyl]but-2-enimidamide
CID 123259895

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylbut-2-enyl)propanimidamide?
The IUPAC name of N'-methyl-N-(2-methylbut-2-enyl)propanimidamide (CID 123564371) is N'-methyl-N-(2-methylbut-2-enyl)propanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methylbut-2-enyl)propanimidamide?
The canonical SMILES for N'-methyl-N-(2-methylbut-2-enyl)propanimidamide is CC=C(C)CN/C(CC)=N/C.
What is the InChIKey of N'-methyl-N-(2-methylbut-2-enyl)propanimidamide?
The InChIKey is QIIJRCOTXKDIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(3)7-11-9(6-2)10-4/h5H,6-7H2,1-4H3,(H,10,11).
What are the key properties of N'-methyl-N-(2-methylbut-2-enyl)propanimidamide?
N'-methyl-N-(2-methylbut-2-enyl)propanimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylbut-2-enyl)propanimidamide is sourced from PubChem (CID 123564371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).