(1S)-2,2-dimethylcyclopropane-1-carboximidamide

C6H12N2 — CID 124538891

IUPAC(1S)-2,2-dimethylcyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H3,7,8)/t4-/m1/s1
InChIKeyGOZCTJIUMDNFPH-SCSAIBSYSA-N
MW112.18 g/mol
LogP0.97
Rot. Bonds1

About (1S)-2,2-dimethylcyclopropane-1-carboximidamide

(1S)-2,2-dimethylcyclopropane-1-carboximidamide (PubChem CID 124538891) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclopropane-1-carboximidamide.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclopropane-1-carboximidamide
PubChem CID124538891
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1S)-2,2-dimethylcyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H3,7,8)/t4-/m1/s1
InChIKeyGOZCTJIUMDNFPH-SCSAIBSYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
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

2-Methylcyclopropane-1-carboximidamide hydrochloride
CID 55289632
rac-(1R,2R)-2-methylcyclopropane-1-carboximidamide hydrochloride
CID 86641155
2,2-Dimethylcyclopropane-1-carboximidamide hydrochloride
CID 13292801
4-Methylpentanimidamide
CID 14144283
2-Methylcyclopropane-1-carboximidamide
CID 10285777
2-Cyclopropyl-acetamidine
CID 23104046
2,2-Dimethylcyclopropane-1-carboximidamide
CID 13292800
2-Methyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 83826866
CID 11400779
CID 11400779
N'-hydroxy-2,2-dimethylcyclopropane-1-carboximidamide
CID 15543604
4,4-Dimethylpentanimidamide
CID 19003030
2-Methylpentanimidamide
CID 19988604

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboximidamide?
The IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboximidamide (CID 124538891) is (1S)-2,2-dimethylcyclopropane-1-carboximidamide.
What is the SMILES notation for (1S)-2,2-dimethylcyclopropane-1-carboximidamide?
The canonical SMILES for (1S)-2,2-dimethylcyclopropane-1-carboximidamide is [H]/N=C(\N)[C@H]1CC1(C)C.
What is the InChIKey of (1S)-2,2-dimethylcyclopropane-1-carboximidamide?
The InChIKey is GOZCTJIUMDNFPH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H3,7,8)/t4-/m1/s1.
What are the key properties of (1S)-2,2-dimethylcyclopropane-1-carboximidamide?
(1S)-2,2-dimethylcyclopropane-1-carboximidamide has a molecular weight of 112.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclopropane-1-carboximidamide is sourced from PubChem (CID 124538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).