(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea

C12H17N3O — CID 142433788

IUPAC(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea
SMILESCC1(C)Cc2ccc(NC(N)=O)cc2C1N
InChIInChI=1S/C12H17N3O/c1-12(2)6-7-3-4-8(15-11(14)16)5-9(7)10(12)13/h3-5,10H,6,13H2,1-2H3,(H3,14,15,16)
InChIKeyCIAPHBQYRDSARQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.76
Rot. Bonds1

About (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea

(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea (PubChem CID 142433788) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea.

Molecular Properties

Compound Name(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea
PubChem CID142433788
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea
SMILESCC1(C)Cc2ccc(NC(N)=O)cc2C1N
InChIInChI=1S/C12H17N3O/c1-12(2)6-7-3-4-8(15-11(14)16)5-9(7)10(12)13/h3-5,10H,6,13H2,1-2H3,(H3,14,15,16)
InChIKeyCIAPHBQYRDSARQ-UHFFFAOYSA-N
XLogP1.76
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
[3-(methylamino)phenyl]urea
CID 23558981
(3,4-dimethoxyphenyl)urea
CID 21197430
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-[[4-(carbamoylamino)benzoyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700504
[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
CID 144820176
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193
[4-(cyclopropylamino)phenyl]urea
CID 103439135
[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 164653314
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea?
The IUPAC name of (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea (CID 142433788) is (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea.
What is the SMILES notation for (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea?
The canonical SMILES for (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea is CC1(C)Cc2ccc(NC(N)=O)cc2C1N.
What is the InChIKey of (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea?
The InChIKey is CIAPHBQYRDSARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2)6-7-3-4-8(15-11(14)16)5-9(7)10(12)13/h3-5,10H,6,13H2,1-2H3,(H3,14,15,16).
What are the key properties of (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea?
(3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea has a molecular weight of 219.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethyl-1,3-dihydroinden-5-yl)urea is sourced from PubChem (CID 142433788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).