(1-methyl-5-propan-2-ylindol-3-yl)methanamine

C13H18N2 — CID 82491626

IUPAC(1-methyl-5-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)c1ccc2c(c1)c(CN)cn2C
InChIInChI=1S/C13H18N2/c1-9(2)10-4-5-13-12(6-10)11(7-14)8-15(13)3/h4-6,8-9H,7,14H2,1-3H3
InChIKeyMRZSYWYVORYKOO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds2

About (1-methyl-5-propan-2-ylindol-3-yl)methanamine

(1-methyl-5-propan-2-ylindol-3-yl)methanamine (PubChem CID 82491626) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1-methyl-5-propan-2-ylindol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-5-propan-2-ylindol-3-yl)methanamine
PubChem CID82491626
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1-methyl-5-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)c1ccc2c(c1)c(CN)cn2C
InChIInChI=1S/C13H18N2/c1-9(2)10-4-5-13-12(6-10)11(7-14)8-15(13)3/h4-6,8-9H,7,14H2,1-3H3
InChIKeyMRZSYWYVORYKOO-UHFFFAOYSA-N
XLogP2.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-ylindol-3-yl)methanamine?
The IUPAC name of (1-methyl-5-propan-2-ylindol-3-yl)methanamine (CID 82491626) is (1-methyl-5-propan-2-ylindol-3-yl)methanamine.
What is the SMILES notation for (1-methyl-5-propan-2-ylindol-3-yl)methanamine?
The canonical SMILES for (1-methyl-5-propan-2-ylindol-3-yl)methanamine is CC(C)c1ccc2c(c1)c(CN)cn2C.
What is the InChIKey of (1-methyl-5-propan-2-ylindol-3-yl)methanamine?
The InChIKey is MRZSYWYVORYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)10-4-5-13-12(6-10)11(7-14)8-15(13)3/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of (1-methyl-5-propan-2-ylindol-3-yl)methanamine?
(1-methyl-5-propan-2-ylindol-3-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-ylindol-3-yl)methanamine is sourced from PubChem (CID 82491626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).