N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

C14H30N2O2 — CID 55066623

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CN)CCOCC1
InChIInChI=1S/C14H30N2O2/c1-13(2)10-16(6-9-17-3)12-14(11-15)4-7-18-8-5-14/h13H,4-12,15H2,1-3H3
InChIKeyGNJXZVYVKGNUTC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.35
Rot. Bonds8

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 55066623) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID55066623
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CN)CCOCC1
InChIInChI=1S/C14H30N2O2/c1-13(2)10-16(6-9-17-3)12-14(11-15)4-7-18-8-5-14/h13H,4-12,15H2,1-3H3
InChIKeyGNJXZVYVKGNUTC-UHFFFAOYSA-N
XLogP1.35
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{4-[(Dimethylamino)methyl]oxan-4-yl}methanamine
CID 62390590
(2-Methoxyethyl)(oxan-4-ylmethyl)amine
CID 62385291
2-methoxy-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 141125874
2-[(3S)-4-methylmorpholin-3-yl]butan-1-amine
CID 156300290
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine
CID 54986642
2-ethyl-N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)butan-1-amine
CID 55051994
N,2-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-1-amine
CID 55065896
N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 55065899
N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]pentan-1-amine
CID 55065945
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 55065990
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 55066037
[4-[(2,6-Dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
CID 55066088

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 55066623) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(CC(C)C)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is GNJXZVYVKGNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)10-16(6-9-17-3)12-14(11-15)4-7-18-8-5-14/h13H,4-12,15H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.35, 8 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-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55066623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).