2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine

C7H15NO2 — CID 28293777

IUPAC2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(OC[C@@H](O1)CCN)C
InChIInChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyYBYAUYKHQWYPSD-LURJTMIESA-N
MW145.20 g/mol
LogP-0.10
Rot. Bonds2

About 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine (PubChem CID 28293777) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
PubChem CID28293777
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(OC[C@@H](O1)CCN)C
InChIInChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyYBYAUYKHQWYPSD-LURJTMIESA-N
XLogP-0.10
TPSA44.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolane-4-methanamine, 2,2-dimethyl-
CID 4122349
(4S,5S)-4,5-DI(Aminomethyl)-2,2-dimethyldioxolane
CID 785247
2-(2-Methyl-1,3-dioxolan-2-yl)ethanamine
CID 10942456
(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine hydrochloride
CID 21466688
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2733884
1-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 10154073
2-(2-Ethyl-[1,3]dioxolan-2-YL)-ethylamine
CID 10931563
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
CID 15316547
(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
CID 59149660
2-amino-1-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 131592240
1,3-Dioxolane-2-propylamine
CID 78099
2,2-Dimethyl-1,3-dioxolane-4,5-dimethanamine
CID 2829039

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine (CID 28293777) is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine is CC1(OC[C@@H](O1)CCN)C.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine?
The InChIKey is YBYAUYKHQWYPSD-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine?
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine has a molecular weight of 145.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine is sourced from PubChem (CID 28293777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).