[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen

C9H26N2O — CID 142304635

IUPAC[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen
SMILESCC.NCC1(CN)CCOCC1.[H][H].[H][H]
InChIInChI=1S/C7H16N2O.C2H6.2H2/c8-5-7(6-9)1-3-10-4-2-7;1-2;;/h1-6,8-9H2;1-2H3;2*1H
InChIKeyPPFOYZJTHRJYLH-UHFFFAOYSA-N
MW178.32 g/mol
LogP1.22
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen

[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen (PubChem CID 142304635) has the molecular formula C9H26N2O and a molecular weight of 178.32 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen
PubChem CID142304635
Molecular FormulaC9H26N2O
Molecular Weight178.32 g/mol
Exact Mass178.20
IUPAC Name[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen
SMILESCC.NCC1(CN)CCOCC1.[H][H].[H][H]
InChIInChI=1S/C7H16N2O.C2H6.2H2/c8-5-7(6-9)1-3-10-4-2-7;1-2;;/h1-6,8-9H2;1-2H3;2*1H
InChIKeyPPFOYZJTHRJYLH-UHFFFAOYSA-N
XLogP1.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyltetrahydro-2H-pyran-4-methanamine
CID 25220539
(4-Methyloxan-4-yl)methanamine
CID 54165201
{[4-(2-Methoxyethyl)tetrahydro-2H-pyran-4-YL]-methyl}amine
CID 25220540
2-Ethyl-4-methoxy-2-methylbutan-1-amine
CID 62725912
[1-(2-Ethoxyethyl)cyclopropyl]methanamine
CID 66024200
2-(4-Methyloxan-4-yl)ethan-1-amine
CID 83815188
[4-(Methoxymethyl)oxan-4-yl]methanamine hydrochloride
CID 86277235
(4-Ethyloxan-4-yl)methanamine hydrochloride
CID 86277258
1-(4-((Dimethylamino)methyl)oxan-4-yl)methanamine dihydrochloride
CID 138987893
[4-(Aminomethyl)oxan-4-yl]methanamine
CID 68738
[4-(Methoxymethyl)oxan-4-yl]methanamine
CID 82229626
1-{4-[(Dimethylamino)methyl]oxan-4-yl}methanamine
CID 62390590

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen (CID 142304635) is [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen is CC.NCC1(CN)CCOCC1.[H][H].[H][H].
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen?
The InChIKey is PPFOYZJTHRJYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6.2H2/c8-5-7(6-9)1-3-10-4-2-7;1-2;;/h1-6,8-9H2;1-2H3;2*1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen?
[4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen has a molecular weight of 178.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]methanamine;ethane;molecular hydrogen is sourced from PubChem (CID 142304635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).