N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine

C12H26N2O2 — CID 62392391

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(6-9-15-2)11-12(10-13)4-7-16-8-5-12/h3-11,13H2,1-2H3
InChIKeyGXAKIGPEWFFRPN-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds7

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 62392391) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine
PubChem CID62392391
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(6-9-15-2)11-12(10-13)4-7-16-8-5-12/h3-11,13H2,1-2H3
InChIKeyGXAKIGPEWFFRPN-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine (CID 62392391) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is GXAKIGPEWFFRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-14(6-9-15-2)11-12(10-13)4-7-16-8-5-12/h3-11,13H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 62392391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).