N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine

C16H21N3 — CID 66039511

IUPACN-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine
SMILESC=C(CC)Cn1nc(CNC2CC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-3-12(2)11-19-16-7-5-4-6-14(16)15(18-19)10-17-13-8-9-13/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeySZJKJKIEMLUSKL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds6

About N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine

N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine (PubChem CID 66039511) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine
PubChem CID66039511
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine
SMILESC=C(CC)Cn1nc(CNC2CC2)c2ccccc21
InChIInChI=1S/C16H21N3/c1-3-12(2)11-19-16-7-5-4-6-14(16)15(18-19)10-17-13-8-9-13/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeySZJKJKIEMLUSKL-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine (CID 66039511) is N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine is C=C(CC)Cn1nc(CNC2CC2)c2ccccc21.
What is the InChIKey of N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine?
The InChIKey is SZJKJKIEMLUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-12(2)11-19-16-7-5-4-6-14(16)15(18-19)10-17-13-8-9-13/h4-7,13,17H,2-3,8-11H2,1H3.
What are the key properties of N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine has a molecular weight of 255.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylidenebutyl)indazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).