1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine

C10H14N2 — CID 91550208

IUPAC1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine
SMILESCNCC1C=NC2C=CC=CC12
InChIInChI=1S/C10H14N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7-11H,6H2,1H3
InChIKeySKBHRAKQBTXYHB-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.02
Rot. Bonds2

About 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine

1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine (PubChem CID 91550208) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine
PubChem CID91550208
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine
SMILESCNCC1C=NC2C=CC=CC12
InChIInChI=1S/C10H14N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7-11H,6H2,1H3
InChIKeySKBHRAKQBTXYHB-UHFFFAOYSA-N
XLogP1.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3a,4,4a,8a,8b-Hexahydropyrrolo[2,3-b]indole
CID 91219672
4,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 20431557
5,5a,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 22340385
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499
1,5a,6,6a,10a,10b-Hexahydroazepino[4,5-b]indole
CID 66641491
5,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 67322252
4b,8a,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 69807343
1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine
CID 89084552
N'-(3a,7a-dihydro-3H-indol-3-ylmethyl)ethane-1,2-diamine
CID 90712845
3-methyl-3a,7a-dihydro-3H-indole
CID 90944619
3-ethyl-3a,7a-dihydro-3H-indole
CID 90959910
1,2,3,5a,5b,9a-Hexahydroazepino[3,4-b]indole
CID 91257589

Frequently Asked Questions

What is the IUPAC name of 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine (CID 91550208) is 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine is CNCC1C=NC2C=CC=CC12.
What is the InChIKey of 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine?
The InChIKey is SKBHRAKQBTXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7-11H,6H2,1H3.
What are the key properties of 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine?
1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine has a molecular weight of 162.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 91550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).