1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea

C9H18N4O2 — CID 77036914

IUPAC1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
SMILESNC(CCCCNC(=O)NC1CC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(13-15)3-1-2-6-11-9(14)12-7-4-5-7/h7,15H,1-6H2,(H2,10,13)(H2,11,12,14)
InChIKeyAQSYKNFMUXDKMA-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.36
Rot. Bonds6

About 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea

1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea (PubChem CID 77036914) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
PubChem CID77036914
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
SMILESNC(CCCCNC(=O)NC1CC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(13-15)3-1-2-6-11-9(14)12-7-4-5-7/h7,15H,1-6H2,(H2,10,13)(H2,11,12,14)
InChIKeyAQSYKNFMUXDKMA-UHFFFAOYSA-N
XLogP0.36
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
CID 77052783
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300
1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea
CID 62698544
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
CID 55250006
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
CID 104521813

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea?
The IUPAC name of 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea (CID 77036914) is 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea?
The canonical SMILES for 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea is NC(CCCCNC(=O)NC1CC1)=NO.
What is the InChIKey of 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea?
The InChIKey is AQSYKNFMUXDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-8(13-15)3-1-2-6-11-9(14)12-7-4-5-7/h7,15H,1-6H2,(H2,10,13)(H2,11,12,14).
What are the key properties of 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea?
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea has a molecular weight of 214.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea is sourced from PubChem (CID 77036914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).