3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea

C17H19N5O2 — CID 140557581

IUPAC3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea
SMILESCC1(C)c2ccccc2-c2ccc(N(C(=O)NN)C(=O)NN)cc21
InChIInChI=1S/C17H19N5O2/c1-17(2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)22(15(23)20-18)16(24)21-19/h3-9H,18-19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLDZBRVBIYALKLG-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.97
Rot. Bonds1

About 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea

3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea (PubChem CID 140557581) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea.

Molecular Properties

Compound Name3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea
PubChem CID140557581
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea
SMILESCC1(C)c2ccccc2-c2ccc(N(C(=O)NN)C(=O)NN)cc21
InChIInChI=1S/C17H19N5O2/c1-17(2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)22(15(23)20-18)16(24)21-19/h3-9H,18-19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLDZBRVBIYALKLG-UHFFFAOYSA-N
XLogP1.97
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
N-(4-ethenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 23530073
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea?
The IUPAC name of 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea (CID 140557581) is 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea.
What is the SMILES notation for 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea?
The canonical SMILES for 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea is CC1(C)c2ccccc2-c2ccc(N(C(=O)NN)C(=O)NN)cc21.
What is the InChIKey of 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea?
The InChIKey is LDZBRVBIYALKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)22(15(23)20-18)16(24)21-19/h3-9H,18-19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea?
3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea has a molecular weight of 325.37 g/mol, XLogP of 1.97, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(9,9-dimethylfluoren-2-yl)-1-(hydrazinecarbonyl)urea is sourced from PubChem (CID 140557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).