N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine

C11H24N2O — CID 62419353

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1CCC(CN)O1
InChIInChI=1S/C11H24N2O/c1-4-9(2)13(3)8-11-6-5-10(7-12)14-11/h9-11H,4-8,12H2,1-3H3
InChIKeyDHLZKPJLMIEBHX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds5

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine (PubChem CID 62419353) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
PubChem CID62419353
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1CCC(CN)O1
InChIInChI=1S/C11H24N2O/c1-4-9(2)13(3)8-11-6-5-10(7-12)14-11/h9-11H,4-8,12H2,1-3H3
InChIKeyDHLZKPJLMIEBHX-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine (CID 62419353) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)CC1CCC(CN)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine?
The InChIKey is DHLZKPJLMIEBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-9(2)13(3)8-11-6-5-10(7-12)14-11/h9-11H,4-8,12H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 62419353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).