(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide

C15H27N3O2 — CID 43333100

IUPAC(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)N(C1CCCCC1)C1CCCCC1)=N\O
InChIInChI=1S/C15H27N3O2/c16-14(17-20)11-15(19)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,20H,1-11H2,(H2,16,17)
InChIKeyUXTLQQDXKPMPJD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.62
Rot. Bonds4

About (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide

(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide (PubChem CID 43333100) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
PubChem CID43333100
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)N(C1CCCCC1)C1CCCCC1)=N\O
InChIInChI=1S/C15H27N3O2/c16-14(17-20)11-15(19)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,20H,1-11H2,(H2,16,17)
InChIKeyUXTLQQDXKPMPJD-UHFFFAOYSA-N
XLogP2.62
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
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

N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
CID 173136057
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-hydroxyiminopropanamide
CID 77046090
N',N'-dicyclohexyl-N-hydroxypropanediamide
CID 3049615
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
CID 62415405
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 77038106

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide (CID 43333100) is (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide is N/C(CC(=O)N(C1CCCCC1)C1CCCCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide?
The InChIKey is UXTLQQDXKPMPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(17-20)11-15(19)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,20H,1-11H2,(H2,16,17).
What are the key properties of (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide has a molecular weight of 281.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 43333100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).