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

C8H17NO2 — CID 70443822

IUPAC4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CC1OCCO1
InChIInChI=1S/C8H17NO2/c1-7(2-3-9)6-8-10-4-5-11-8/h7-8H,2-6,9H2,1H3
InChIKeyVMNGEYYLPNFYRK-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds4

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

4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine (PubChem CID 70443822) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
PubChem CID70443822
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
SMILESCC(CCN)CC1OCCO1
InChIInChI=1S/C8H17NO2/c1-7(2-3-9)6-8-10-4-5-11-8/h7-8H,2-6,9H2,1H3
InChIKeyVMNGEYYLPNFYRK-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine (CID 70443822) is 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine is CC(CCN)CC1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine?
The InChIKey is VMNGEYYLPNFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2-3-9)6-8-10-4-5-11-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine?
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 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)-3-methylbutan-1-amine is sourced from PubChem (CID 70443822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).