5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine

C13H27N3 — CID 115145951

IUPAC5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCN1CCCC(CNC2CNC(C)(C)C2)C1
InChIInChI=1S/C13H27N3/c1-13(2)7-12(9-15-13)14-8-11-5-4-6-16(3)10-11/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQTANEEMNMMVPMG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds3

About 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine

5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 115145951) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID115145951
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCN1CCCC(CNC2CNC(C)(C)C2)C1
InChIInChI=1S/C13H27N3/c1-13(2)7-12(9-15-13)14-8-11-5-4-6-16(3)10-11/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQTANEEMNMMVPMG-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6,6-tetramethyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 62655614
2,2-dimethyl-N-[2-(1-methylpiperidin-3-yl)ethyl]piperidin-4-amine
CID 115145605
N-(2-cyclohexylethyl)-5,5-dimethylpyrrolidin-3-amine
CID 115146067
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-(cyclohexylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182326
[2-[(1-methylpiperidin-3-yl)methylamino]cyclopentyl]methanol
CID 106359457
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243
2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142490

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine (CID 115145951) is 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine is CN1CCCC(CNC2CNC(C)(C)C2)C1.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is QTANEEMNMMVPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2)7-12(9-15-13)14-8-11-5-4-6-16(3)10-11/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine?
5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115145951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).