N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine

C12H25N3 — CID 83835122

IUPACN,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine
SMILESCN(C)CC1CCCN(C2CCNC2)C1
InChIInChI=1S/C12H25N3/c1-14(2)9-11-4-3-7-15(10-11)12-5-6-13-8-12/h11-13H,3-10H2,1-2H3
InChIKeyKECUISATKMDMGT-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds3

About N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine

N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine (PubChem CID 83835122) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine
PubChem CID83835122
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine
SMILESCN(C)CC1CCCN(C2CCNC2)C1
InChIInChI=1S/C12H25N3/c1-14(2)9-11-4-3-7-15(10-11)12-5-6-13-8-12/h11-13H,3-10H2,1-2H3
InChIKeyKECUISATKMDMGT-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
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-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine (CID 83835122) is N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine is CN(C)CC1CCCN(C2CCNC2)C1.
What is the InChIKey of N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine?
The InChIKey is KECUISATKMDMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(2)9-11-4-3-7-15(10-11)12-5-6-13-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine?
N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 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-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine is sourced from PubChem (CID 83835122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).