ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine

C13H26N2 — CID 168883273

IUPACethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine
SMILESC=C1CNC(CCN(C)C2CC2)C1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9-7-10(12-8-9)5-6-13(2)11-3-4-11;1-2/h10-12H,1,3-8H2,2H3;1-2H3
InChIKeyCTOFKNCZZZPPEZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds4

About ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine

ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine (PubChem CID 168883273) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine
PubChem CID168883273
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine
SMILESC=C1CNC(CCN(C)C2CC2)C1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9-7-10(12-8-9)5-6-13(2)11-3-4-11;1-2/h10-12H,1,3-8H2,2H3;1-2H3
InChIKeyCTOFKNCZZZPPEZ-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine?
The IUPAC name of ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine (CID 168883273) is ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine is C=C1CNC(CCN(C)C2CC2)C1.CC.
What is the InChIKey of ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine?
The InChIKey is CTOFKNCZZZPPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-9-7-10(12-8-9)5-6-13(2)11-3-4-11;1-2/h10-12H,1,3-8H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine?
ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 168883273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).