N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide

C14H25N3O2 — CID 107182757

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C14H25N3O2/c1-14(2)8-3-4-11(14)13(18)17(10-5-6-10)9-7-12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyPEMNMHKGLZGXLG-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107182757) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107182757
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C14H25N3O2/c1-14(2)8-3-4-11(14)13(18)17(10-5-6-10)9-7-12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyPEMNMHKGLZGXLG-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
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-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107183930
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
CID 76937461
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79162963

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide (CID 107182757) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is PEMNMHKGLZGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)8-3-4-11(14)13(18)17(10-5-6-10)9-7-12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 5 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-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107182757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).