(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine

C11H17N — CID 58835522

IUPAC(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
SMILESCC1CC(CN)C2=CC=CCC21
InChIInChI=1S/C11H17N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-3,5,8-10H,4,6-7,12H2,1H3
InChIKeyGSFIGKRCAGZQMK-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.10
Rot. Bonds1

About (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine

(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine (PubChem CID 58835522) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
PubChem CID58835522
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
SMILESCC1CC(CN)C2=CC=CCC21
InChIInChI=1S/C11H17N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-3,5,8-10H,4,6-7,12H2,1H3
InChIKeyGSFIGKRCAGZQMK-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine?
The IUPAC name of (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine (CID 58835522) is (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine.
What is the SMILES notation for (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine?
The canonical SMILES for (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine is CC1CC(CN)C2=CC=CCC21.
What is the InChIKey of (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine?
The InChIKey is GSFIGKRCAGZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-3,5,8-10H,4,6-7,12H2,1H3.
What are the key properties of (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine?
(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine is sourced from PubChem (CID 58835522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).