9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine

C13H25N3 — CID 67709044

IUPAC9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
SMILESCN1C2CCC(N)CC2C2CC(N)CCC21
InChIInChI=1S/C13H25N3/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)16/h8-13H,2-7,14-15H2,1H3
InChIKeyOBVDPPSNNIBBQC-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.92
Rot. Bonds

About 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine

9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine (PubChem CID 67709044) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
PubChem CID67709044
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
SMILESCN1C2CCC(N)CC2C2CC(N)CCC21
InChIInChI=1S/C13H25N3/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)16/h8-13H,2-7,14-15H2,1H3
InChIKeyOBVDPPSNNIBBQC-UHFFFAOYSA-N
XLogP0.92
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine?
The IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine (CID 67709044) is 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine?
The canonical SMILES for 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine is CN1C2CCC(N)CC2C2CC(N)CCC21.
What is the InChIKey of 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine?
The InChIKey is OBVDPPSNNIBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)16/h8-13H,2-7,14-15H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine?
9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine has a molecular weight of 223.36 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine is sourced from PubChem (CID 67709044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).