3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide

C14H19N5O2 — CID 142323170

IUPAC3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide
SMILESNc1cccc(OC2CCC2)c1N.O=CNc1ncc[nH]1
InChIInChI=1S/C10H14N2O.C4H5N3O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7;8-3-7-4-5-1-2-6-4/h2,5-7H,1,3-4,11-12H2;1-3H,(H2,5,6,7,8)
InChIKeyUUFKCNIKRYPSDZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.76
Rot. Bonds4

About 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide

3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide (PubChem CID 142323170) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide.

Molecular Properties

Compound Name3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide
PubChem CID142323170
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide
SMILESNc1cccc(OC2CCC2)c1N.O=CNc1ncc[nH]1
InChIInChI=1S/C10H14N2O.C4H5N3O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7;8-3-7-4-5-1-2-6-4/h2,5-7H,1,3-4,11-12H2;1-3H,(H2,5,6,7,8)
InChIKeyUUFKCNIKRYPSDZ-UHFFFAOYSA-N
XLogP1.76
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
CID 142323097
[4-(2,3-diaminophenoxy)cyclohexyl] prop-2-enoate
CID 141212660
4-cyclohexyloxyquinolin-8-amine
CID 83061131
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
2-(4-aminocyclohexyl)oxyaniline
CID 117095465
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline
CID 142323127
1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
CID 58429500
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
2-(thian-4-yloxy)aniline
CID 14819600
2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 103710639
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
CID 57122404

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide?
The IUPAC name of 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide (CID 142323170) is 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide.
What is the SMILES notation for 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide?
The canonical SMILES for 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide is Nc1cccc(OC2CCC2)c1N.O=CNc1ncc[nH]1.
What is the InChIKey of 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide?
The InChIKey is UUFKCNIKRYPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C4H5N3O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7;8-3-7-4-5-1-2-6-4/h2,5-7H,1,3-4,11-12H2;1-3H,(H2,5,6,7,8).
What are the key properties of 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide?
3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide has a molecular weight of 289.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide is sourced from PubChem (CID 142323170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).