N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine

C14H30N2O — CID 62257866

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)C(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-6-15-9-14(7-8-17-11-14)10-16(5)13(4)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyQRHXTLMATVYQJQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds7

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 62257866) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID62257866
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)C(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-6-15-9-14(7-8-17-11-14)10-16(5)13(4)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyQRHXTLMATVYQJQ-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine (CID 62257866) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine is CCNCC1(CN(C)C(C)C(C)C)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is QRHXTLMATVYQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-15-9-14(7-8-17-11-14)10-16(5)13(4)12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 62257866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).