N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine

C15H18N6 — CID 107054615

IUPACN-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine
SMILESCn1nnc(Cn2c(CNC3CC3)cc3ccccc32)n1
InChIInChI=1S/C15H18N6/c1-20-18-15(17-19-20)10-21-13(9-16-12-6-7-12)8-11-4-2-3-5-14(11)21/h2-5,8,12,16H,6-7,9-10H2,1H3
InChIKeyYEEXDEWTLOAYJZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.47
Rot. Bonds5

About N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine

N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine (PubChem CID 107054615) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine
PubChem CID107054615
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine
SMILESCn1nnc(Cn2c(CNC3CC3)cc3ccccc32)n1
InChIInChI=1S/C15H18N6/c1-20-18-15(17-19-20)10-21-13(9-16-12-6-7-12)8-11-4-2-3-5-14(11)21/h2-5,8,12,16H,6-7,9-10H2,1H3
InChIKeyYEEXDEWTLOAYJZ-UHFFFAOYSA-N
XLogP1.47
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine (CID 107054615) is N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine is Cn1nnc(Cn2c(CNC3CC3)cc3ccccc32)n1.
What is the InChIKey of N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine?
The InChIKey is YEEXDEWTLOAYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-18-15(17-19-20)10-21-13(9-16-12-6-7-12)8-11-4-2-3-5-14(11)21/h2-5,8,12,16H,6-7,9-10H2,1H3.
What are the key properties of N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine?
N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine has a molecular weight of 282.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107054615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).