N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine

C11H22N2O — CID 164650876

IUPACN-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
SMILESCC1COCC1N(C)C1(CN)CCC1
InChIInChI=1S/C11H22N2O/c1-9-6-14-7-10(9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyUPXHBBAOEZKNIE-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds3

About N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine

N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine (PubChem CID 164650876) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
PubChem CID164650876
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
SMILESCC1COCC1N(C)C1(CN)CCC1
InChIInChI=1S/C11H22N2O/c1-9-6-14-7-10(9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyUPXHBBAOEZKNIE-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine
CID 131101379
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 81168934
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 103562769

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine (CID 164650876) is N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine is CC1COCC1N(C)C1(CN)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine?
The InChIKey is UPXHBBAOEZKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-14-7-10(9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine?
N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine is sourced from PubChem (CID 164650876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).