3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine

C9H16N2 — CID 123257027

IUPAC3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine
SMILESCC1=CN(N)C2CCCCC12
InChIInChI=1S/C9H16N2/c1-7-6-11(10)9-5-3-2-4-8(7)9/h6,8-9H,2-5,10H2,1H3
InChIKeyPWADRQNNZOOWOL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.64
Rot. Bonds

About 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine

3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine (PubChem CID 123257027) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine.

Molecular Properties

Compound Name3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine
PubChem CID123257027
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine
SMILESCC1=CN(N)C2CCCCC12
InChIInChI=1S/C9H16N2/c1-7-6-11(10)9-5-3-2-4-8(7)9/h6,8-9H,2-5,10H2,1H3
InChIKeyPWADRQNNZOOWOL-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine?
The IUPAC name of 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine (CID 123257027) is 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine.
What is the SMILES notation for 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine?
The canonical SMILES for 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine is CC1=CN(N)C2CCCCC12.
What is the InChIKey of 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine?
The InChIKey is PWADRQNNZOOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-6-11(10)9-5-3-2-4-8(7)9/h6,8-9H,2-5,10H2,1H3.
What are the key properties of 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine?
3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine is sourced from PubChem (CID 123257027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).