1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide

C12H24N2O2 — CID 82947993

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC1)C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)14(7-8-16-3)11(15)12(9-13)5-4-6-12/h10H,4-9,13H2,1-3H3
InChIKeyQIDCPBFFDKIUGU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 82947993) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
PubChem CID82947993
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC1)C(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)14(7-8-16-3)11(15)12(9-13)5-4-6-12/h10H,4-9,13H2,1-3H3
InChIKeyQIDCPBFFDKIUGU-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80587697
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441735
4-amino-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82948017
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
4-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82961261
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide (CID 82947993) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide is COCCN(C(=O)C1(CN)CCC1)C(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is QIDCPBFFDKIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14(7-8-16-3)11(15)12(9-13)5-4-6-12/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 82947993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).