N-[(1S)-2-methylcyclopropyl]ethenimine

C6H9N — CID 149214769

IUPACN-[(1S)-2-methylcyclopropyl]ethenimine
SMILESC=C=N[C@H]1CC1C
InChIInChI=1S/C6H9N/c1-3-7-6-4-5(6)2/h5-6H,1,4H2,2H3/t5?,6-/m0/s1
InChIKeyXHGUCYTYDXULQQ-GDVGLLTNSA-N
MW95.14 g/mol
LogP1.25
Rot. Bonds1

About N-[(1S)-2-methylcyclopropyl]ethenimine

N-[(1S)-2-methylcyclopropyl]ethenimine (PubChem CID 149214769) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-[(1S)-2-methylcyclopropyl]ethenimine.

Molecular Properties

Compound NameN-[(1S)-2-methylcyclopropyl]ethenimine
PubChem CID149214769
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-[(1S)-2-methylcyclopropyl]ethenimine
SMILESC=C=N[C@H]1CC1C
InChIInChI=1S/C6H9N/c1-3-7-6-4-5(6)2/h5-6H,1,4H2,2H3/t5?,6-/m0/s1
InChIKeyXHGUCYTYDXULQQ-GDVGLLTNSA-N
XLogP1.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-methylcyclopropyl)iminoazanium
CID 163943473
(4S)-2,4-diisocyanato-1-methylcyclohexane
CID 126516901
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
N-cyclohexylethenimine
CID 22149410
1-methyl-2-propa-1,2-dienylcyclopropane
CID 123896728
1-(3-isocyanato-4-methylcyclopentyl)cyclopropane-1-sulfonamide
CID 123745665
N'-(2-methylcyclopropyl)cyclohexanecarboximidamide
CID 63178369
3-methyl-4-nitrosocyclopentan-1-ol
CID 143364771
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
1-amino-2-(2-methylcyclopropyl)guanidine
CID 64873830
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine
CID 163712422

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methylcyclopropyl]ethenimine?
The IUPAC name of N-[(1S)-2-methylcyclopropyl]ethenimine (CID 149214769) is N-[(1S)-2-methylcyclopropyl]ethenimine.
What is the SMILES notation for N-[(1S)-2-methylcyclopropyl]ethenimine?
The canonical SMILES for N-[(1S)-2-methylcyclopropyl]ethenimine is C=C=N[C@H]1CC1C.
What is the InChIKey of N-[(1S)-2-methylcyclopropyl]ethenimine?
The InChIKey is XHGUCYTYDXULQQ-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H9N/c1-3-7-6-4-5(6)2/h5-6H,1,4H2,2H3/t5?,6-/m0/s1.
What are the key properties of N-[(1S)-2-methylcyclopropyl]ethenimine?
N-[(1S)-2-methylcyclopropyl]ethenimine has a molecular weight of 95.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methylcyclopropyl]ethenimine is sourced from PubChem (CID 149214769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).