3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine

C13H27N3 — CID 66010510

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
SMILESCN(C)CC1CCCN1CC1CCC(N)C1
InChIInChI=1S/C13H27N3/c1-15(2)10-13-4-3-7-16(13)9-11-5-6-12(14)8-11/h11-13H,3-10,14H2,1-2H3
InChIKeyGTCHAUMJIMJRDV-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds4

About 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine

3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 66010510) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
PubChem CID66010510
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
SMILESCN(C)CC1CCCN1CC1CCC(N)C1
InChIInChI=1S/C13H27N3/c1-15(2)10-13-4-3-7-16(13)9-11-5-6-12(14)8-11/h11-13H,3-10,14H2,1-2H3
InChIKeyGTCHAUMJIMJRDV-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine (CID 66010510) is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine is CN(C)CC1CCCN1CC1CCC(N)C1.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is GTCHAUMJIMJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)10-13-4-3-7-16(13)9-11-5-6-12(14)8-11/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine?
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66010510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).