1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

C10H20N2O3 — CID 80587473

IUPAC1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1(CN)CC1
InChIInChI=1S/C10H20N2O3/c1-12(5-8(13)6-15-2)9(14)10(7-11)3-4-10/h8,13H,3-7,11H2,1-2H3
InChIKeyLMHIJSKKSWHHKF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.81
Rot. Bonds6

About 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 80587473) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
PubChem CID80587473
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1(CN)CC1
InChIInChI=1S/C10H20N2O3/c1-12(5-8(13)6-15-2)9(14)10(7-11)3-4-10/h8,13H,3-7,11H2,1-2H3
InChIKeyLMHIJSKKSWHHKF-UHFFFAOYSA-N
XLogP-0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (CID 80587473) is 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is COCC(O)CN(C)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LMHIJSKKSWHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(5-8(13)6-15-2)9(14)10(7-11)3-4-10/h8,13H,3-7,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80587473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).