4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine

C16H34N2O — CID 79477711

IUPAC4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CN(CC)C1(CN)CCOC(C)(CC)C1
InChIInChI=1S/C16H34N2O/c1-6-14(4)11-18(8-3)16(13-17)9-10-19-15(5,7-2)12-16/h14H,6-13,17H2,1-5H3
InChIKeyCEJXTBVFSHGGSB-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.03
Rot. Bonds7

About 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine

4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine (PubChem CID 79477711) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
PubChem CID79477711
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CN(CC)C1(CN)CCOC(C)(CC)C1
InChIInChI=1S/C16H34N2O/c1-6-14(4)11-18(8-3)16(13-17)9-10-19-15(5,7-2)12-16/h14H,6-13,17H2,1-5H3
InChIKeyCEJXTBVFSHGGSB-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine (CID 79477711) is 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine is CCC(C)CN(CC)C1(CN)CCOC(C)(CC)C1.
What is the InChIKey of 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The InChIKey is CEJXTBVFSHGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-14(4)11-18(8-3)16(13-17)9-10-19-15(5,7-2)12-16/h14H,6-13,17H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine has a molecular weight of 270.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine is sourced from PubChem (CID 79477711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).