1-(cycloheptylmethyl)-1-hydroxyurea

C9H18N2O2 — CID 19017868

IUPAC1-(cycloheptylmethyl)-1-hydroxyurea
SMILESNC(=O)N(O)CC1CCCCCC1
InChIInChI=1S/C9H18N2O2/c10-9(12)11(13)7-8-5-3-1-2-4-6-8/h8,13H,1-7H2,(H2,10,12)
InChIKeyPPJOICWPPSLGBK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds2

About 1-(cycloheptylmethyl)-1-hydroxyurea

1-(cycloheptylmethyl)-1-hydroxyurea (PubChem CID 19017868) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-1-hydroxyurea.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-1-hydroxyurea
PubChem CID19017868
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(cycloheptylmethyl)-1-hydroxyurea
SMILESNC(=O)N(O)CC1CCCCCC1
InChIInChI=1S/C9H18N2O2/c10-9(12)11(13)7-8-5-3-1-2-4-6-8/h8,13H,1-7H2,(H2,10,12)
InChIKeyPPJOICWPPSLGBK-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutylmethyl)-1-methylurea
CID 62860439
N-(cyclopentylmethyl)-N-hydroxy-2,2-dimethylbutanamide
CID 131997480
2-cyclodecylacetamide
CID 150110792
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-1-hydroxyurea?
The IUPAC name of 1-(cycloheptylmethyl)-1-hydroxyurea (CID 19017868) is 1-(cycloheptylmethyl)-1-hydroxyurea.
What is the SMILES notation for 1-(cycloheptylmethyl)-1-hydroxyurea?
The canonical SMILES for 1-(cycloheptylmethyl)-1-hydroxyurea is NC(=O)N(O)CC1CCCCCC1.
What is the InChIKey of 1-(cycloheptylmethyl)-1-hydroxyurea?
The InChIKey is PPJOICWPPSLGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(12)11(13)7-8-5-3-1-2-4-6-8/h8,13H,1-7H2,(H2,10,12).
What are the key properties of 1-(cycloheptylmethyl)-1-hydroxyurea?
1-(cycloheptylmethyl)-1-hydroxyurea has a molecular weight of 186.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-1-hydroxyurea is sourced from PubChem (CID 19017868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).