N,N-diethyl-5,6-dihydro-3H-inden-1-amine

C13H19N — CID 57129555

IUPACN,N-diethyl-5,6-dihydro-3H-inden-1-amine
SMILESCCN(CC)C1=CCC2=CCCC=C21
InChIInChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyQUKFVBXGUREYMF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.26
Rot. Bonds3

About N,N-diethyl-5,6-dihydro-3H-inden-1-amine

N,N-diethyl-5,6-dihydro-3H-inden-1-amine (PubChem CID 57129555) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,N-diethyl-5,6-dihydro-3H-inden-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5,6-dihydro-3H-inden-1-amine
PubChem CID57129555
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,N-diethyl-5,6-dihydro-3H-inden-1-amine
SMILESCCN(CC)C1=CCC2=CCCC=C21
InChIInChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyQUKFVBXGUREYMF-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Magnesidin
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1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
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N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
(5R)-5-fluoro-2-iodo-3-methylidene-4,5-dihydro-1H-isoindole
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5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 139317881
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057
6-ethenyl-1-ethyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyridine
CID 156800818
6-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydroisoindole
CID 166553100

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6-dihydro-3H-inden-1-amine?
The IUPAC name of N,N-diethyl-5,6-dihydro-3H-inden-1-amine (CID 57129555) is N,N-diethyl-5,6-dihydro-3H-inden-1-amine.
What is the SMILES notation for N,N-diethyl-5,6-dihydro-3H-inden-1-amine?
The canonical SMILES for N,N-diethyl-5,6-dihydro-3H-inden-1-amine is CCN(CC)C1=CCC2=CCCC=C21.
What is the InChIKey of N,N-diethyl-5,6-dihydro-3H-inden-1-amine?
The InChIKey is QUKFVBXGUREYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-14(4-2)13-10-9-11-7-5-6-8-12(11)13/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of N,N-diethyl-5,6-dihydro-3H-inden-1-amine?
N,N-diethyl-5,6-dihydro-3H-inden-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6-dihydro-3H-inden-1-amine is sourced from PubChem (CID 57129555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).