4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide

C14H26N2O2 — CID 107397896

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC1CCC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-2-16(10-12-4-3-5-12)13(17)14(11-15)6-8-18-9-7-14/h12H,2-11,15H2,1H3
InChIKeyCGGDNDAWPHDOBB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide (PubChem CID 107397896) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
PubChem CID107397896
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC1CCC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H26N2O2/c1-2-16(10-12-4-3-5-12)13(17)14(11-15)6-8-18-9-7-14/h12H,2-11,15H2,1H3
InChIKeyCGGDNDAWPHDOBB-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441782
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
CID 107398769
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide (CID 107397896) is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide is CCN(CC1CCC1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide?
The InChIKey is CGGDNDAWPHDOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-16(10-12-4-3-5-12)13(17)14(11-15)6-8-18-9-7-14/h12H,2-11,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide?
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 107397896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).