1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine

C12H21N3 — CID 66400036

IUPAC1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NCc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3/c1-14-6-3-4-12(10-14)13-8-11-5-7-15(2)9-11/h5,7,9,12-13H,3-4,6,8,10H2,1-2H3
InChIKeyMUXWNAWDFDRMRP-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine

1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine (PubChem CID 66400036) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
PubChem CID66400036
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NCc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3/c1-14-6-3-4-12(10-14)13-8-11-5-7-15(2)9-11/h5,7,9,12-13H,3-4,6,8,10H2,1-2H3
InChIKeyMUXWNAWDFDRMRP-UHFFFAOYSA-N
XLogP1.21
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66399217
1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine (CID 66400036) is 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine is CN1CCCC(NCc2ccn(C)c2)C1.
What is the InChIKey of 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine?
The InChIKey is MUXWNAWDFDRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-6-3-4-12(10-14)13-8-11-5-7-15(2)9-11/h5,7,9,12-13H,3-4,6,8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine?
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 66400036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).