N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine

C14H18N2O — CID 82834234

IUPACN-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine
SMILESCC1CCC(CNc2ccc3[nH]ccc3c2)O1
InChIInChI=1S/C14H18N2O/c1-10-2-4-13(17-10)9-16-12-3-5-14-11(8-12)6-7-15-14/h3,5-8,10,13,15-16H,2,4,9H2,1H3
InChIKeyAYSYNWDCVSSESS-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.15
Rot. Bonds3

About N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine

N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine (PubChem CID 82834234) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine
PubChem CID82834234
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine
SMILESCC1CCC(CNc2ccc3[nH]ccc3c2)O1
InChIInChI=1S/C14H18N2O/c1-10-2-4-13(17-10)9-16-12-3-5-14-11(8-12)6-7-15-14/h3,5-8,10,13,15-16H,2,4,9H2,1H3
InChIKeyAYSYNWDCVSSESS-UHFFFAOYSA-N
XLogP3.15
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine (CID 82834234) is N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine is CC1CCC(CNc2ccc3[nH]ccc3c2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine?
The InChIKey is AYSYNWDCVSSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-2-4-13(17-10)9-16-12-3-5-14-11(8-12)6-7-15-14/h3,5-8,10,13,15-16H,2,4,9H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine?
N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 82834234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).