1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine

C13H27N3 — CID 63207186

IUPAC1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
SMILESCNC1CCCC1N(C)CCN1CCCC1
InChIInChI=1S/C13H27N3/c1-14-12-6-5-7-13(12)15(2)10-11-16-8-3-4-9-16/h12-14H,3-11H2,1-2H3
InChIKeySHVZOYDTUCENRW-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds5

About 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine

1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine (PubChem CID 63207186) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
PubChem CID63207186
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
SMILESCNC1CCCC1N(C)CCN1CCCC1
InChIInChI=1S/C13H27N3/c1-14-12-6-5-7-13(12)15(2)10-11-16-8-3-4-9-16/h12-14H,3-11H2,1-2H3
InChIKeySHVZOYDTUCENRW-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine (CID 63207186) is 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine is CNC1CCCC1N(C)CCN1CCCC1.
What is the InChIKey of 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine?
The InChIKey is SHVZOYDTUCENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-14-12-6-5-7-13(12)15(2)10-11-16-8-3-4-9-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine?
1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 63207186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).