[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C7H15NO3 — CID 13091751

IUPAC[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CN)C(CO)O1
InChIInChI=1S/C7H15NO3/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,9H,3-4,8H2,1-2H3
InChIKeyCZWAQOONHPMUOX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.54
Rot. Bonds2

About [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 13091751) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID13091751
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CN)C(CO)O1
InChIInChI=1S/C7H15NO3/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,9H,3-4,8H2,1-2H3
InChIKeyCZWAQOONHPMUOX-UHFFFAOYSA-N
XLogP-0.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2829039
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 10678820
[(4R,5S)-2,2-dimethyl-5-[(Z)-pent-2-enyl]-1,3-dioxolan-4-yl]methanol
CID 14191868
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
ethyl 3-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11160616
ethyl 3-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 23248107
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]methanol
CID 11217670
(2S)-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 131019398

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 13091751) is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC(CN)C(CO)O1.
What is the InChIKey of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is CZWAQOONHPMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 161.20 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 13091751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).