N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide

C14H27N3O2 — CID 107182758

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CCCC1C
InChIInChI=1S/C14H27N3O2/c1-10(2)9-17(8-7-13(15)16-19)14(18)12-6-4-5-11(12)3/h10-12,19H,4-9H2,1-3H3,(H2,15,16)
InChIKeyBCTSIEQNJTYBSC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.04
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 107182758) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID107182758
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CCCC1C
InChIInChI=1S/C14H27N3O2/c1-10(2)9-17(8-7-13(15)16-19)14(18)12-6-4-5-11(12)3/h10-12,19H,4-9H2,1-3H3,(H2,15,16)
InChIKeyBCTSIEQNJTYBSC-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide (CID 107182758) is N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CN(CCC(N)=NO)C(=O)C1CCCC1C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is BCTSIEQNJTYBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)9-17(8-7-13(15)16-19)14(18)12-6-4-5-11(12)3/h10-12,19H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 269.39 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)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).