3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine

C11H14N2O2 — CID 19365901

IUPAC3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
SMILESCC1(C)CC(N)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H14N2O2/c1-11(2)6-10(12)8-5-7(13(14)15)3-4-9(8)11/h3-5,10H,6,12H2,1-2H3
InChIKeyRXVBSXNZBHJPBT-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.28
Rot. Bonds1

About 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine

3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine (PubChem CID 19365901) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
PubChem CID19365901
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
SMILESCC1(C)CC(N)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H14N2O2/c1-11(2)6-10(12)8-5-7(13(14)15)3-4-9(8)11/h3-5,10H,6,12H2,1-2H3
InChIKeyRXVBSXNZBHJPBT-UHFFFAOYSA-N
XLogP2.28
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
6,6-dimethyl-3-nitro-1a,6a-dihydroindeno[1,2-b]oxirene
CID 14896382
1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 54498060
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
1-[(1S,2R)-2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl]pyrrolidin-2-one
CID 70382946
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
2-amino-1-(3,3-dimethyl-5-nitro-2H-indol-1-yl)ethanone
CID 82480521
(2E)-2-(3,3-dimethyl-6-nitro-2H-inden-1-ylidene)acetonitrile
CID 25208578
4,11,17-trinitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-1-carboxylic acid;4,11,18-trinitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-1-carboxylic acid;4,12,17-trinitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-1-carboxylic acid
CID 158669516
1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)piperidin-2-one
CID 14896385

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine?
The IUPAC name of 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine (CID 19365901) is 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine.
What is the SMILES notation for 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine?
The canonical SMILES for 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine is CC1(C)CC(N)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine?
The InChIKey is RXVBSXNZBHJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)6-10(12)8-5-7(13(14)15)3-4-9(8)11/h3-5,10H,6,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine?
3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine has a molecular weight of 206.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine is sourced from PubChem (CID 19365901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).