N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine

C13H27N3 — CID 104595053

IUPACN,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2(C)CCCCN2)C1
InChIInChI=1S/C13H27N3/c1-13(7-4-5-8-14-13)11-16-9-6-12(10-16)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyGOXJDMOQDCQFSS-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds3

About N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 104595053) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID104595053
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2(C)CCCCN2)C1
InChIInChI=1S/C13H27N3/c1-13(7-4-5-8-14-13)11-16-9-6-12(10-16)15(2)3/h12,14H,4-11H2,1-3H3
InChIKeyGOXJDMOQDCQFSS-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine (CID 104595053) is N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine is CN(C)C1CCN(CC2(C)CCCCN2)C1.
What is the InChIKey of N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GOXJDMOQDCQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(7-4-5-8-14-13)11-16-9-6-12(10-16)15(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 104595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).