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

C13H24N2O2 — CID 63956780

IUPAC4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC1CC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-2-15(9-11-3-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-10,14H2,1H3
InChIKeyRRBAAHHGIWVBGN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds5

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

4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide (PubChem CID 63956780) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
PubChem CID63956780
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC1CC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-2-15(9-11-3-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-10,14H2,1H3
InChIKeyRRBAAHHGIWVBGN-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896
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
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
4-amino-N-(cyclopropylmethyl)-N-propyloxane-4-carboxamide
CID 115293756
4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
CID 120931177
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide (CID 63956780) is 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide is CCN(CC1CC1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide?
The InChIKey is RRBAAHHGIWVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-15(9-11-3-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide?
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 63956780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).