1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide

C14H26N2O2 — CID 114135899

IUPAC1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCCC2CCCCO2)C1
InChIInChI=1S/C14H26N2O2/c1-11-8-14(9-11,10-15)13(17)16-6-5-12-4-2-3-7-18-12/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyBALMJXXKGSKVTG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds5

About 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 114135899) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID114135899
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCCC2CCCCO2)C1
InChIInChI=1S/C14H26N2O2/c1-11-8-14(9-11,10-15)13(17)16-6-5-12-4-2-3-7-18-12/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyBALMJXXKGSKVTG-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
CID 126795366
2-(aminomethyl)-N-(oxan-4-yl)-2-propylpentanamide
CID 61839925
2-(aminomethyl)-N-(oxan-2-ylmethyl)-2-propylpentanamide
CID 61844514
2-(aminomethyl)-N-(oxan-2-ylmethyl)pentanamide
CID 61844714
2-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]-2-propylpentanamide
CID 61845126
2-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 61845328
2-(aminomethyl)-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 61868551
3-ethyl-N-[2-(oxolan-2-yl)ethyl]piperidine-3-carboxamide
CID 63131650
3-methyl-N-[2-(oxolan-2-yl)ethyl]piperidine-3-carboxamide
CID 63131651
N-[2-(oxolan-2-yl)ethyl]-3-propylpiperidine-3-carboxamide
CID 63131652
N-(3-propan-2-yloxypropyl)-3-propylpiperidine-3-carboxamide
CID 63134825
N-(3-cyclohexyloxypropyl)-3-methylpiperidine-3-carboxamide
CID 63135333

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide (CID 114135899) is 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCCC2CCCCO2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is BALMJXXKGSKVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-8-14(9-11,10-15)13(17)16-6-5-12-4-2-3-7-18-12/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114135899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).