1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

C13H27N3O2 — CID 113312882

IUPAC1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCN(CCCN(C)C)C(=O)C1(CN)CC1
InChIInChI=1S/C13H27N3O2/c1-15(2)7-4-8-16(9-10-18-3)12(17)13(11-14)5-6-13/h4-11,14H2,1-3H3
InChIKeyUDZKWQUTWSSKBF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.15
Rot. Bonds9

About 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 113312882) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID113312882
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCN(CCCN(C)C)C(=O)C1(CN)CC1
InChIInChI=1S/C13H27N3O2/c1-15(2)7-4-8-16(9-10-18-3)12(17)13(11-14)5-6-13/h4-11,14H2,1-3H3
InChIKeyUDZKWQUTWSSKBF-UHFFFAOYSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
1-(aminomethyl)-N,N-bis[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 115452941
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
N-[3-(dimethylamino)propyl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63143867
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467723
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 113312882) is 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCN(CCCN(C)C)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is UDZKWQUTWSSKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(2)7-4-8-16(9-10-18-3)12(17)13(11-14)5-6-13/h4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113312882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).