2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine

C16H23N3 — CID 112651076

IUPAC2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1cccnc1Cn1cccc1CNC(C)(C)C
InChIInChI=1S/C16H23N3/c1-13-7-5-9-17-15(13)12-19-10-6-8-14(19)11-18-16(2,3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyPIOGBMZWVPDCJT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 112651076) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID112651076
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1cccnc1Cn1cccc1CNC(C)(C)C
InChIInChI=1S/C16H23N3/c1-13-7-5-9-17-15(13)12-19-10-6-8-14(19)11-18-16(2,3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyPIOGBMZWVPDCJT-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403771
2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401437
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402797
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 82919681
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 112651076) is 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine is Cc1cccnc1Cn1cccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is PIOGBMZWVPDCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-7-5-9-17-15(13)12-19-10-6-8-14(19)11-18-16(2,3)4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 112651076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).