ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine

C14H28N2 — CID 168883420

IUPACethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine
SMILESC=C1CCNC1CN(C)C1CCCC1.CC
InChIInChI=1S/C12H22N2.C2H6/c1-10-7-8-13-12(10)9-14(2)11-5-3-4-6-11;1-2/h11-13H,1,3-9H2,2H3;1-2H3
InChIKeyHKYJQJRQYGACIG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds3

About ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine

ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine (PubChem CID 168883420) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine
PubChem CID168883420
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine
SMILESC=C1CCNC1CN(C)C1CCCC1.CC
InChIInChI=1S/C12H22N2.C2H6/c1-10-7-8-13-12(10)9-14(2)11-5-3-4-6-11;1-2/h11-13H,1,3-9H2,2H3;1-2H3
InChIKeyHKYJQJRQYGACIG-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
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-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine?
The IUPAC name of ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine (CID 168883420) is ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine?
The canonical SMILES for ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine is C=C1CCNC1CN(C)C1CCCC1.CC.
What is the InChIKey of ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine?
The InChIKey is HKYJQJRQYGACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-10-7-8-13-12(10)9-14(2)11-5-3-4-6-11;1-2/h11-13H,1,3-9H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine?
ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 168883420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).