1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide

C13H26N2O3 — CID 80587697

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC1)C(C)COC
InChIInChI=1S/C13H26N2O3/c1-11(9-18-3)15(7-8-17-2)12(16)13(10-14)5-4-6-13/h11H,4-10,14H2,1-3H3
InChIKeyNFMYACKKEBAJJF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.63
Rot. Bonds8

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80587697) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
PubChem CID80587697
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC1)C(C)COC
InChIInChI=1S/C13H26N2O3/c1-11(9-18-3)15(7-8-17-2)12(16)13(10-14)5-4-6-13/h11H,4-10,14H2,1-3H3
InChIKeyNFMYACKKEBAJJF-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441735
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 55166694
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921371
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242273
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710773
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80597255
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide (CID 80587697) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide is COCCN(C(=O)C1(CN)CCC1)C(C)COC.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is NFMYACKKEBAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(9-18-3)15(7-8-17-2)12(16)13(10-14)5-4-6-13/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).