(2R)-2-(1,3-dioxan-2-yl)propan-1-amine

C7H15NO2 — CID 94252080

IUPAC(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
SMILESC[C@H](CN)C1OCCCO1
InChIInChI=1S/C7H15NO2/c1-6(5-8)7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3/t6-/m1/s1
InChIKeyBZURSTMCKKLBRA-ZCFIWIBFSA-N
MW145.20 g/mol
LogP0.34
Rot. Bonds2

About (2R)-2-(1,3-dioxan-2-yl)propan-1-amine

(2R)-2-(1,3-dioxan-2-yl)propan-1-amine (PubChem CID 94252080) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
PubChem CID94252080
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
SMILESC[C@H](CN)C1OCCCO1
InChIInChI=1S/C7H15NO2/c1-6(5-8)7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3/t6-/m1/s1
InChIKeyBZURSTMCKKLBRA-ZCFIWIBFSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxan-2-yl)propan-1-amine?
The IUPAC name of (2R)-2-(1,3-dioxan-2-yl)propan-1-amine (CID 94252080) is (2R)-2-(1,3-dioxan-2-yl)propan-1-amine.
What is the SMILES notation for (2R)-2-(1,3-dioxan-2-yl)propan-1-amine?
The canonical SMILES for (2R)-2-(1,3-dioxan-2-yl)propan-1-amine is C[C@H](CN)C1OCCCO1.
What is the InChIKey of (2R)-2-(1,3-dioxan-2-yl)propan-1-amine?
The InChIKey is BZURSTMCKKLBRA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(5-8)7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxan-2-yl)propan-1-amine?
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxan-2-yl)propan-1-amine is sourced from PubChem (CID 94252080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).