2,3-dihydro-1H-inden-1-amine;methanamine

C12H26N4 — CID 174570832

IUPAC2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2ccccc21
InChIInChI=1S/C9H11N.3CH5N/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-2/h1-4,9H,5-6,10H2;3*2H2,1H3
InChIKeyYZXICJHGMOZWAI-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.36
Rot. Bonds

About 2,3-dihydro-1H-inden-1-amine;methanamine

2,3-dihydro-1H-inden-1-amine;methanamine (PubChem CID 174570832) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-amine;methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-amine;methanamine
PubChem CID174570832
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2ccccc21
InChIInChI=1S/C9H11N.3CH5N/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-2/h1-4,9H,5-6,10H2;3*2H2,1H3
InChIKeyYZXICJHGMOZWAI-UHFFFAOYSA-N
XLogP0.36
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine
CID 91239309
1-ethyl-2,3-dihydro-1H-indene
CID 20971
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-amine;methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-amine;methanamine (CID 174570832) is 2,3-dihydro-1H-inden-1-amine;methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-amine;methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-amine;methanamine is CN.CN.CN.NC1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-amine;methanamine?
The InChIKey is YZXICJHGMOZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.3CH5N/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-2/h1-4,9H,5-6,10H2;3*2H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-amine;methanamine?
2,3-dihydro-1H-inden-1-amine;methanamine has a molecular weight of 226.37 g/mol, XLogP of 0.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-amine;methanamine is sourced from PubChem (CID 174570832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).