4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine

C9H19NO2 — CID 70442959

IUPAC4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)CC1OCCO1
InChIInChI=1S/C9H19NO2/c1-7(8(2)6-10)5-9-11-3-4-12-9/h7-9H,3-6,10H2,1-2H3
InChIKeyPBFLOCPIDWSYDJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.98
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine

4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine (PubChem CID 70442959) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
PubChem CID70442959
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
SMILESCC(CN)C(C)CC1OCCO1
InChIInChI=1S/C9H19NO2/c1-7(8(2)6-10)5-9-11-3-4-12-9/h7-9H,3-6,10H2,1-2H3
InChIKeyPBFLOCPIDWSYDJ-UHFFFAOYSA-N
XLogP0.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine (CID 70442959) is 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine is CC(CN)C(C)CC1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is PBFLOCPIDWSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(8(2)6-10)5-9-11-3-4-12-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine?
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 70442959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).