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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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
1-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 65482115
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451059
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651

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).