1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide

C14H28N2O3 — CID 80588345

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCCN(CCOC)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C14H28N2O3/c1-12-9-14(10-12,11-15)13(17)16(6-8-19-3)5-4-7-18-2/h12H,4-11,15H2,1-3H3
InChIKeyLALHRWKMIGDNKM-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.87
Rot. Bonds9

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80588345) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80588345
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCCN(CCOC)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C14H28N2O3/c1-12-9-14(10-12,11-15)13(17)16(6-8-19-3)5-4-7-18-2/h12H,4-11,15H2,1-3H3
InChIKeyLALHRWKMIGDNKM-UHFFFAOYSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467723
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467755
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
CID 114290515
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
1-(aminomethyl)-N,N-bis[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 115452941

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide (CID 80588345) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide is COCCCN(CCOC)C(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is LALHRWKMIGDNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12-9-14(10-12,11-15)13(17)16(6-8-19-3)5-4-7-18-2/h12H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.87, 9 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-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).