1-[(2S)-1,4-dioxan-2-yl]propan-2-amine

C7H15NO2 — CID 89159983

IUPAC1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
SMILESCC(N)C[C@H]1COCCO1
InChIInChI=1S/C7H15NO2/c1-6(8)4-7-5-9-2-3-10-7/h6-7H,2-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyXRCMEKWSJKFOKX-MLWJPKLSSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds2

About 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine

1-[(2S)-1,4-dioxan-2-yl]propan-2-amine (PubChem CID 89159983) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
PubChem CID89159983
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
SMILESCC(N)C[C@H]1COCCO1
InChIInChI=1S/C7H15NO2/c1-6(8)4-7-5-9-2-3-10-7/h6-7H,2-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyXRCMEKWSJKFOKX-MLWJPKLSSA-N
XLogP0.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine?
The IUPAC name of 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine (CID 89159983) is 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine?
The canonical SMILES for 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine is CC(N)C[C@H]1COCCO1.
What is the InChIKey of 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine?
The InChIKey is XRCMEKWSJKFOKX-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(8)4-7-5-9-2-3-10-7/h6-7H,2-5,8H2,1H3/t6?,7-/m0/s1.
What are the key properties of 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine?
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine has a molecular weight of 145.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,4-dioxan-2-yl]propan-2-amine is sourced from PubChem (CID 89159983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).