(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide

C12H23N3O2 — CID 55209783

IUPAC(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
SMILESCCC(NC(=O)C/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-2-10(9-6-4-3-5-7-9)14-12(16)8-11(13)15-17/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyYKZOWIOHBPQPBO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide (PubChem CID 55209783) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
PubChem CID55209783
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
SMILESCCC(NC(=O)C/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H23N3O2/c1-2-10(9-6-4-3-5-7-9)14-12(16)8-11(13)15-17/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyYKZOWIOHBPQPBO-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76943287
2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070656
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-cyano-N-(1-cyclohexylpropyl)acetamide
CID 62405971
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
1-cyclohexylpropylthiourea
CID 62407553
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
CID 113498344
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-cyclobutylpropyl)acetamide
CID 127002620
3-amino-N-(1-cyclohexylpropyl)cyclohexane-1-carboxamide
CID 62776840

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide (CID 55209783) is (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide is CCC(NC(=O)C/C(N)=N/O)C1CCCCC1.
What is the InChIKey of (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide?
The InChIKey is YKZOWIOHBPQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-10(9-6-4-3-5-7-9)14-12(16)8-11(13)15-17/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 55209783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).