(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

C8H17NO2 — CID 54203584

IUPAC(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)C1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-6(2)7(9)8(3)10-4-5-11-8/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChIKeyPQYJIVVZKPALNO-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds2

About (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 54203584) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID54203584
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)C1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-6(2)7(9)8(3)10-4-5-11-8/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChIKeyPQYJIVVZKPALNO-ZETCQYMHSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (CID 54203584) is (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is CC(C)[C@H](N)C1(C)OCCO1.
What is the InChIKey of (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is PQYJIVVZKPALNO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)7(9)8(3)10-4-5-11-8/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 54203584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).