cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine

C11H20N2 — CID 130856013

IUPACcyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(C)(CC)C1
InChIInChI=1S/C11H20N2/c1-3-11(2)6-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+
InChIKeyCKVIUCQSOMWIKP-ZRDIBKRKSA-N
MW180.30 g/mol
LogP2.50
Rot. Bonds2

About cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine

cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine (PubChem CID 130856013) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine
PubChem CID130856013
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Namecyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCC(C)(CC)C1
InChIInChI=1S/C11H20N2/c1-3-11(2)6-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+
InChIKeyCKVIUCQSOMWIKP-ZRDIBKRKSA-N
XLogP2.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.50
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

cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
CID 107395818
8-azaspiro[4.5]decan-8-yl(cyclopropyl)methanimine
CID 63178211
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
CID 55159975
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine
CID 63177587
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine?
The IUPAC name of cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine (CID 130856013) is cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine.
What is the SMILES notation for cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine?
The canonical SMILES for cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine is [H]/N=C(\C1CC1)N1CCC(C)(CC)C1.
What is the InChIKey of cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine?
The InChIKey is CKVIUCQSOMWIKP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11(2)6-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+.
What are the key properties of cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine?
cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine has a molecular weight of 180.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine is sourced from PubChem (CID 130856013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).