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

C9H19NO2 — CID 58287026

IUPAC(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
SMILESCCC(CN)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-4-7(5-10)8-6-11-9(2,3)12-8/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyHNKFRSCRTATTJR-BRFYHDHCSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds3

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

(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine (PubChem CID 58287026) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
PubChem CID58287026
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
SMILESCCC(CN)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-4-7(5-10)8-6-11-9(2,3)12-8/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyHNKFRSCRTATTJR-BRFYHDHCSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine?
The IUPAC name of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine (CID 58287026) is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine.
What is the SMILES notation for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine?
The canonical SMILES for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine is CCC(CN)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine?
The InChIKey is HNKFRSCRTATTJR-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7(5-10)8-6-11-9(2,3)12-8/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine?
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine is sourced from PubChem (CID 58287026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).