(2S)-2-cyclopropylpropanimidamide

C6H12N2 — CID 95732542

IUPAC(2S)-2-cyclopropylpropanimidamide
SMILES[H]/N=C(\N)[C@@H](C)C1CC1
InChIInChI=1S/C6H12N2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H3,7,8)/t4-/m0/s1
InChIKeyQTAHMYBLQCCJSD-BYPYZUCNSA-N
MW112.18 g/mol
LogP0.97
Rot. Bonds2

About (2S)-2-cyclopropylpropanimidamide

(2S)-2-cyclopropylpropanimidamide (PubChem CID 95732542) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2S)-2-cyclopropylpropanimidamide.

Molecular Properties

Compound Name(2S)-2-cyclopropylpropanimidamide
PubChem CID95732542
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2S)-2-cyclopropylpropanimidamide
SMILES[H]/N=C(\N)[C@@H](C)C1CC1
InChIInChI=1S/C6H12N2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H3,7,8)/t4-/m0/s1
InChIKeyQTAHMYBLQCCJSD-BYPYZUCNSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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

3-cyclopropylbutan-2-imine
CID 163671590
2-methylpropanimidamide;hydrochloride
CID 2782053
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propanimidamide
CID 164653529
3-(cyclopropylmethoxy)-2-methylpropanimidamide
CID 43368806
2-(oxan-4-ylsulfanyl)propanimidamide
CID 62997159
2-(4-methylcyclohexyl)propanamide
CID 175989942
2-(4-hydroxycyclohexyl)propanamide
CID 90285777
(2R)-2-methoxypropanimidamide
CID 11768515
3-cycloheptyloxy-2-methylpropanimidamide
CID 114995552
(2-cyclopropylpropanoylamino)urea
CID 83150747
3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
CID 79163516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropylpropanimidamide?
The IUPAC name of (2S)-2-cyclopropylpropanimidamide (CID 95732542) is (2S)-2-cyclopropylpropanimidamide.
What is the SMILES notation for (2S)-2-cyclopropylpropanimidamide?
The canonical SMILES for (2S)-2-cyclopropylpropanimidamide is [H]/N=C(\N)[C@@H](C)C1CC1.
What is the InChIKey of (2S)-2-cyclopropylpropanimidamide?
The InChIKey is QTAHMYBLQCCJSD-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H3,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-cyclopropylpropanimidamide?
(2S)-2-cyclopropylpropanimidamide has a molecular weight of 112.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropylpropanimidamide is sourced from PubChem (CID 95732542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).