3,3-diethyl-2,5-dihydroinden-1-amine

C13H19N — CID 174426109

IUPAC3,3-diethyl-2,5-dihydroinden-1-amine
SMILESCCC1(CC)CC(N)=C2C=CCC=C21
InChIInChI=1S/C13H19N/c1-3-13(4-2)9-12(14)10-7-5-6-8-11(10)13/h5,7-8H,3-4,6,9,14H2,1-2H3
InChIKeyBZPSQYSSUAKASU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.30
Rot. Bonds2

About 3,3-diethyl-2,5-dihydroinden-1-amine

3,3-diethyl-2,5-dihydroinden-1-amine (PubChem CID 174426109) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3,3-diethyl-2,5-dihydroinden-1-amine.

Molecular Properties

Compound Name3,3-diethyl-2,5-dihydroinden-1-amine
PubChem CID174426109
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3,3-diethyl-2,5-dihydroinden-1-amine
SMILESCCC1(CC)CC(N)=C2C=CCC=C21
InChIInChI=1S/C13H19N/c1-3-13(4-2)9-12(14)10-7-5-6-8-11(10)13/h5,7-8H,3-4,6,9,14H2,1-2H3
InChIKeyBZPSQYSSUAKASU-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-(2,2-Difluoroethyl)-1-methylcyclohexa-2,4-dien-1-yl]prop-1-en-2-amine
CID 131977013
3,3,5,5-Tetramethylcyclohexen-1-amine
CID 22630157
4-Tert-butylcyclopenta-1,3-dien-1-amine
CID 58468613
5,6-Diethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 66958213
5-Ethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 67747474
6-Methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 67816168
5,5-Ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine
CID 67816670
4-Tert-butyl-5,6-dimethylcyclohexa-1,3-dien-1-amine
CID 68019500
(3-Amino-5,5-dimethylcyclohex-2-en-1-ylidene)methanediamine
CID 68344823
2,3-Diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine
CID 68886640
6-Methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 70652577
(8Z)-8-[(Z)-but-2-enylidene]-11,11-dimethyl-7-methylidene-3,4-dihydrobenzo[b]fluoren-2-amine
CID 70819863

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2,5-dihydroinden-1-amine?
The IUPAC name of 3,3-diethyl-2,5-dihydroinden-1-amine (CID 174426109) is 3,3-diethyl-2,5-dihydroinden-1-amine.
What is the SMILES notation for 3,3-diethyl-2,5-dihydroinden-1-amine?
The canonical SMILES for 3,3-diethyl-2,5-dihydroinden-1-amine is CCC1(CC)CC(N)=C2C=CCC=C21.
What is the InChIKey of 3,3-diethyl-2,5-dihydroinden-1-amine?
The InChIKey is BZPSQYSSUAKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-13(4-2)9-12(14)10-7-5-6-8-11(10)13/h5,7-8H,3-4,6,9,14H2,1-2H3.
What are the key properties of 3,3-diethyl-2,5-dihydroinden-1-amine?
3,3-diethyl-2,5-dihydroinden-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2,5-dihydroinden-1-amine is sourced from PubChem (CID 174426109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).