1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine

C16H21N3 — CID 63001612

IUPAC1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CNC(C2CC2)C2CC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-19-15-5-3-2-4-13(15)14(18-19)10-17-16(11-6-7-11)12-8-9-12/h2-5,11-12,16-17H,6-10H2,1H3
InChIKeyVDGFXXBOKYYFSF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.85
Rot. Bonds5

About 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine (PubChem CID 63001612) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
PubChem CID63001612
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CNC(C2CC2)C2CC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-19-15-5-3-2-4-13(15)14(18-19)10-17-16(11-6-7-11)12-8-9-12/h2-5,11-12,16-17H,6-10H2,1H3
InChIKeyVDGFXXBOKYYFSF-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
N-[(1-methylindazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 63001915
N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
CID 113256963
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
1-methyl-N-[(1-methylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 63378842
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine (CID 63001612) is 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine is Cn1nc(CNC(C2CC2)C2CC2)c2ccccc21.
What is the InChIKey of 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine?
The InChIKey is VDGFXXBOKYYFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-15-5-3-2-4-13(15)14(18-19)10-17-16(11-6-7-11)12-8-9-12/h2-5,11-12,16-17H,6-10H2,1H3.
What are the key properties of 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 63001612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).