1-(dicyclopropylmethyl)pyrrolidin-2-imine

C11H18N2 — CID 61482452

IUPAC1-(dicyclopropylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C1CC1)C1CC1
InChIInChI=1S/C11H18N2/c12-10-2-1-7-13(10)11(8-3-4-8)9-5-6-9/h8-9,11-12H,1-7H2/b12-10+
InChIKeyBHZDAVPRHUQPHX-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(dicyclopropylmethyl)pyrrolidin-2-imine

1-(dicyclopropylmethyl)pyrrolidin-2-imine (PubChem CID 61482452) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)pyrrolidin-2-imine
PubChem CID61482452
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(dicyclopropylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C1CC1)C1CC1
InChIInChI=1S/C11H18N2/c12-10-2-1-7-13(10)11(8-3-4-8)9-5-6-9/h8-9,11-12H,1-7H2/b12-10+
InChIKeyBHZDAVPRHUQPHX-ZRDIBKRKSA-N
XLogP2.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(dicyclopropylmethyl)pyrrolidin-2-imine (CID 61482452) is 1-(dicyclopropylmethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(dicyclopropylmethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(dicyclopropylmethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)pyrrolidin-2-imine?
The InChIKey is BHZDAVPRHUQPHX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c12-10-2-1-7-13(10)11(8-3-4-8)9-5-6-9/h8-9,11-12H,1-7H2/b12-10+.
What are the key properties of 1-(dicyclopropylmethyl)pyrrolidin-2-imine?
1-(dicyclopropylmethyl)pyrrolidin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)pyrrolidin-2-imine is sourced from PubChem (CID 61482452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).