N'-chloro-2-methylcyclopropane-1-carboximidamide

C5H9ClN2 — CID 173487126

IUPACN'-chloro-2-methylcyclopropane-1-carboximidamide
SMILESCC1CC1C(N)=NCl
InChIInChI=1S/C5H9ClN2/c1-3-2-4(3)5(7)8-6/h3-4H,2H2,1H3,(H2,7,8)
InChIKeyDEPBYMKNIPHWSB-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.15
Rot. Bonds1

About N'-chloro-2-methylcyclopropane-1-carboximidamide

N'-chloro-2-methylcyclopropane-1-carboximidamide (PubChem CID 173487126) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N'-chloro-2-methylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-chloro-2-methylcyclopropane-1-carboximidamide
PubChem CID173487126
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN'-chloro-2-methylcyclopropane-1-carboximidamide
SMILESCC1CC1C(N)=NCl
InChIInChI=1S/C5H9ClN2/c1-3-2-4(3)5(7)8-6/h3-4H,2H2,1H3,(H2,7,8)
InChIKeyDEPBYMKNIPHWSB-UHFFFAOYSA-N
XLogP1.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.15
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'-tert-butyl-2-methylcyclopropane-1-carboximidamide
CID 65421542
2-methylcyclopropane-1-carbothioamide
CID 61239226
2-chloro-1-[(1S,2S)-2-methylcyclopropyl]ethanone
CID 93494094
2-methylcyclopropane-1-carboximidamide;hydrochloride
CID 55289632
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108

Frequently Asked Questions

What is the IUPAC name of N'-chloro-2-methylcyclopropane-1-carboximidamide?
The IUPAC name of N'-chloro-2-methylcyclopropane-1-carboximidamide (CID 173487126) is N'-chloro-2-methylcyclopropane-1-carboximidamide.
What is the SMILES notation for N'-chloro-2-methylcyclopropane-1-carboximidamide?
The canonical SMILES for N'-chloro-2-methylcyclopropane-1-carboximidamide is CC1CC1C(N)=NCl.
What is the InChIKey of N'-chloro-2-methylcyclopropane-1-carboximidamide?
The InChIKey is DEPBYMKNIPHWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3-2-4(3)5(7)8-6/h3-4H,2H2,1H3,(H2,7,8).
What are the key properties of N'-chloro-2-methylcyclopropane-1-carboximidamide?
N'-chloro-2-methylcyclopropane-1-carboximidamide has a molecular weight of 132.59 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-2-methylcyclopropane-1-carboximidamide is sourced from PubChem (CID 173487126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).