1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine

C13H20N2 — CID 90953845

IUPAC1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine
SMILESNC1C=CC=CC2C3CCCCC3NC12
InChIInChI=1S/C13H20N2/c14-11-7-3-1-6-10-9-5-2-4-8-12(9)15-13(10)11/h1,3,6-7,9-13,15H,2,4-5,8,14H2
InChIKeyMITJLWQRDWQENZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.59
Rot. Bonds

About 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine

1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine (PubChem CID 90953845) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine
PubChem CID90953845
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine
SMILESNC1C=CC=CC2C3CCCCC3NC12
InChIInChI=1S/C13H20N2/c14-11-7-3-1-6-10-9-5-2-4-8-12(9)15-13(10)11/h1,3,6-7,9-13,15H,2,4-5,8,14H2
InChIKeyMITJLWQRDWQENZ-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine?
The IUPAC name of 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine (CID 90953845) is 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine?
The canonical SMILES for 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine is NC1C=CC=CC2C3CCCCC3NC12.
What is the InChIKey of 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine?
The InChIKey is MITJLWQRDWQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-11-7-3-1-6-10-9-5-2-4-8-12(9)15-13(10)11/h1,3,6-7,9-13,15H,2,4-5,8,14H2.
What are the key properties of 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine?
1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine has a molecular weight of 204.32 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6,10a,10b-decahydrocyclohepta[b]indol-6-amine is sourced from PubChem (CID 90953845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).