1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine

C16H24N4 — CID 62999542

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1nn(C)c2ccccc12
InChIInChI=1S/C16H24N4/c1-3-20-10-6-7-13(20)11-17-12-15-14-8-4-5-9-16(14)19(2)18-15/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeyYBXCRNJKCFDPDE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine (PubChem CID 62999542) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
PubChem CID62999542
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1nn(C)c2ccccc12
InChIInChI=1S/C16H24N4/c1-3-20-10-6-7-13(20)11-17-12-15-14-8-4-5-9-16(14)19(2)18-15/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeyYBXCRNJKCFDPDE-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64983121
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
CID 124821762
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N'-cyclopentyl-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
CID 63379463
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628483
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine (CID 62999542) is 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine is CCN1CCCC1CNCc1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The InChIKey is YBXCRNJKCFDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20-10-6-7-13(20)11-17-12-15-14-8-4-5-9-16(14)19(2)18-15/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 62999542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).