(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine

C9H15N — CID 150690711

IUPAC(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine
SMILESN[C@H]1CCC2CCCC=C21
InChIInChI=1S/C9H15N/c10-9-6-5-7-3-1-2-4-8(7)9/h4,7,9H,1-3,5-6,10H2/t7?,9-/m0/s1
InChIKeyMFLYJGGHNKOJJE-NETXQHHPSA-N
MW137.23 g/mol
LogP1.83
Rot. Bonds

About (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine

(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine (PubChem CID 150690711) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine
PubChem CID150690711
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine
SMILESN[C@H]1CCC2CCCC=C21
InChIInChI=1S/C9H15N/c10-9-6-5-7-3-1-2-4-8(7)9/h4,7,9H,1-3,5-6,10H2/t7?,9-/m0/s1
InChIKeyMFLYJGGHNKOJJE-NETXQHHPSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine?
The IUPAC name of (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine (CID 150690711) is (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine?
The canonical SMILES for (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine is N[C@H]1CCC2CCCC=C21.
What is the InChIKey of (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine?
The InChIKey is MFLYJGGHNKOJJE-NETXQHHPSA-N. The full InChI is InChI=1S/C9H15N/c10-9-6-5-7-3-1-2-4-8(7)9/h4,7,9H,1-3,5-6,10H2/t7?,9-/m0/s1.
What are the key properties of (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine?
(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine is sourced from PubChem (CID 150690711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).