N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine

C14H30N2O — CID 55241656

IUPACN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)CC)CCCOC1
InChIInChI=1S/C14H30N2O/c1-5-13(3)16(4)11-14(10-15-6-2)8-7-9-17-12-14/h13,15H,5-12H2,1-4H3
InChIKeyYHNMUBVRELQJDM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine (PubChem CID 55241656) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
PubChem CID55241656
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)CC)CCCOC1
InChIInChI=1S/C14H30N2O/c1-5-13(3)16(4)11-14(10-15-6-2)8-7-9-17-12-14/h13,15H,5-12H2,1-4H3
InChIKeyYHNMUBVRELQJDM-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 104554673
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
CID 63739631
1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
CID 63739464
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
CID 63740150
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine (CID 55241656) is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine is CCNCC1(CN(C)C(C)CC)CCCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine?
The InChIKey is YHNMUBVRELQJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13(3)16(4)11-14(10-15-6-2)8-7-9-17-12-14/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine?
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 55241656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).