N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H23N3 — CID 107163562

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCN1CCC(C)(CNC2=NCCC2)CC1
InChIInChI=1S/C12H23N3/c1-12(5-8-15(2)9-6-12)10-14-11-4-3-7-13-11/h3-10H2,1-2H3,(H,13,14)
InChIKeySOOXGYBVRHAYJT-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.50
Rot. Bonds2

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 107163562) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID107163562
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCN1CCC(C)(CNC2=NCCC2)CC1
InChIInChI=1S/C12H23N3/c1-12(5-8-15(2)9-6-12)10-14-11-4-3-7-13-11/h3-10H2,1-2H3,(H,13,14)
InChIKeySOOXGYBVRHAYJT-UHFFFAOYSA-N
XLogP1.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 107163562) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is CN1CCC(C)(CNC2=NCCC2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is SOOXGYBVRHAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(5-8-15(2)9-6-12)10-14-11-4-3-7-13-11/h3-10H2,1-2H3,(H,13,14).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 209.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 107163562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).