N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide

C9H18N2O2 — CID 63753647

IUPACN-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
SMILESCOCC(N)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H18N2O2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6,10H2,1-2H3
InChIKeyIBWDDSSMUWKVTI-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide

N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide (PubChem CID 63753647) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
PubChem CID63753647
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
SMILESCOCC(N)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H18N2O2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6,10H2,1-2H3
InChIKeyIBWDDSSMUWKVTI-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide (CID 63753647) is N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide is COCC(N)CN(C)C(=O)C1CC1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The InChIKey is IBWDDSSMUWKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6,10H2,1-2H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 63753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).