1-(1-methylcyclopropyl)ethanimine

C6H11N — CID 154515435

IUPAC1-(1-methylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CC1
InChIInChI=1S/C6H11N/c1-5(7)6(2)3-4-6/h7H,3-4H2,1-2H3/b7-5+
InChIKeyQZFLYWCLTRUQCM-FNORWQNLSA-N
MW97.16 g/mol
LogP1.83
Rot. Bonds1

About 1-(1-methylcyclopropyl)ethanimine

1-(1-methylcyclopropyl)ethanimine (PubChem CID 154515435) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)ethanimine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)ethanimine
PubChem CID154515435
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-(1-methylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1(C)CC1
InChIInChI=1S/C6H11N/c1-5(7)6(2)3-4-6/h7H,3-4H2,1-2H3/b7-5+
InChIKeyQZFLYWCLTRUQCM-FNORWQNLSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethylbutan-2-imine
CID 11221343
3-(Fluoromethyl)-3-methylpentan-2-imine
CID 163843400
5-Fluoro-3,3-dimethylpentan-2-imine
CID 174326047
3-Ethyl-3-methylpentan-2-imine
CID 12754203
1-Cyclopropylethanimine
CID 18727541
2,2-Dimethylpentan-3-imine
CID 53846580
4,4-Dimethylpentan-2-imine
CID 59728502
3,3-Dimethylpentan-2-imine
CID 89185088
2-Ethylcyclopropan-1-imine
CID 123312254
1-(1-Ethanimidoylcyclopropyl)ethanimine
CID 123656751
1-(2,2-Dimethylcyclopropyl)ethanimine
CID 124019394
1,1,1-Trideuterio-3,3-dimethylbutan-2-imine
CID 140915145

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)ethanimine?
The IUPAC name of 1-(1-methylcyclopropyl)ethanimine (CID 154515435) is 1-(1-methylcyclopropyl)ethanimine.
What is the SMILES notation for 1-(1-methylcyclopropyl)ethanimine?
The canonical SMILES for 1-(1-methylcyclopropyl)ethanimine is [H]/N=C(\C)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)ethanimine?
The InChIKey is QZFLYWCLTRUQCM-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N/c1-5(7)6(2)3-4-6/h7H,3-4H2,1-2H3/b7-5+.
What are the key properties of 1-(1-methylcyclopropyl)ethanimine?
1-(1-methylcyclopropyl)ethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)ethanimine is sourced from PubChem (CID 154515435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).