5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine

C9H21N3 — CID 176992220

IUPAC5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CNCC(CN(C)C)C1
InChIInChI=1S/C9H21N3/c1-10-9-4-8(5-11-6-9)7-12(2)3/h8-11H,4-7H2,1-3H3
InChIKeyFTSLTCJWMGBTSX-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.25
Rot. Bonds3

About 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine

5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine (PubChem CID 176992220) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine
PubChem CID176992220
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CNCC(CN(C)C)C1
InChIInChI=1S/C9H21N3/c1-10-9-4-8(5-11-6-9)7-12(2)3/h8-11H,4-7H2,1-3H3
InChIKeyFTSLTCJWMGBTSX-UHFFFAOYSA-N
XLogP-0.25
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine (CID 176992220) is 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine is CNC1CNCC(CN(C)C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine?
The InChIKey is FTSLTCJWMGBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-10-9-4-8(5-11-6-9)7-12(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine?
5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine has a molecular weight of 171.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 176992220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).