1-(cycloheptylmethyl)pyrrolidin-2-imine

C12H22N2 — CID 131007201

IUPAC1-(cycloheptylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCCCCC1
InChIInChI=1S/C12H22N2/c13-12-8-5-9-14(12)10-11-6-3-1-2-4-7-11/h11,13H,1-10H2/b13-12+
InChIKeyDLHLQQNIAUSYRZ-OUKQBFOZSA-N
MW194.32 g/mol
LogP3.03
Rot. Bonds2

About 1-(cycloheptylmethyl)pyrrolidin-2-imine

1-(cycloheptylmethyl)pyrrolidin-2-imine (PubChem CID 131007201) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(cycloheptylmethyl)pyrrolidin-2-imine
PubChem CID131007201
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(cycloheptylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1CCCCCC1
InChIInChI=1S/C12H22N2/c13-12-8-5-9-14(12)10-11-6-3-1-2-4-7-11/h11,13H,1-10H2/b13-12+
InChIKeyDLHLQQNIAUSYRZ-OUKQBFOZSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.03
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-(cycloheptylmethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(cycloheptylmethyl)pyrrolidin-2-imine (CID 131007201) is 1-(cycloheptylmethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(cycloheptylmethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(cycloheptylmethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1CCCCCC1.
What is the InChIKey of 1-(cycloheptylmethyl)pyrrolidin-2-imine?
The InChIKey is DLHLQQNIAUSYRZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c13-12-8-5-9-14(12)10-11-6-3-1-2-4-7-11/h11,13H,1-10H2/b13-12+.
What are the key properties of 1-(cycloheptylmethyl)pyrrolidin-2-imine?
1-(cycloheptylmethyl)pyrrolidin-2-imine has a molecular weight of 194.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)pyrrolidin-2-imine is sourced from PubChem (CID 131007201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).