N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H27N3O2 — CID 76917116

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27N3O2/c1-10(2)9-18(6-5-14(16)17-20)15(19)13-8-11-3-4-12(13)7-11/h10-13,20H,3-9H2,1-2H3,(H2,16,17)
InChIKeyVPQHSKFJUZPEQI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.04
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 76917116) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID76917116
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27N3O2/c1-10(2)9-18(6-5-14(16)17-20)15(19)13-8-11-3-4-12(13)7-11/h10-13,20H,3-9H2,1-2H3,(H2,16,17)
InChIKeyVPQHSKFJUZPEQI-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.04
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-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233
N-(2-amino-2-hydroxyiminoethyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 76927861
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106611174
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 76917326

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 76917116) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CN(CCC(N)=NO)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VPQHSKFJUZPEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)9-18(6-5-14(16)17-20)15(19)13-8-11-3-4-12(13)7-11/h10-13,20H,3-9H2,1-2H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 76917116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).