1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine

C13H26N2O — CID 103562711

IUPAC1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
SMILESCCN(CC1CCCO1)C1(CN)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-15(9-12-5-4-6-16-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyARHDXSDOBOEAKO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine

1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine (PubChem CID 103562711) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
PubChem CID103562711
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
SMILESCCN(CC1CCCO1)C1(CN)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-15(9-12-5-4-6-16-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyARHDXSDOBOEAKO-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 61434002
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
CID 114080121
1-(aminomethyl)-N-ethyl-N-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 65158368
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79171980
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-methylcyclobutan-1-amine
CID 103562943
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246691
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine (CID 103562711) is 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine is CCN(CC1CCCO1)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is ARHDXSDOBOEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15(9-12-5-4-6-16-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 103562711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).