1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine

C9H17NO2 — CID 103544185

IUPAC1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine
SMILESNC(CC1OCCO1)C1CCC1
InChIInChI=1S/C9H17NO2/c10-8(7-2-1-3-7)6-9-11-4-5-12-9/h7-9H,1-6,10H2
InChIKeyAEXIRQFLMAMYEB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.88
Rot. Bonds3

About 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine

1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine (PubChem CID 103544185) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine
PubChem CID103544185
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine
SMILESNC(CC1OCCO1)C1CCC1
InChIInChI=1S/C9H17NO2/c10-8(7-2-1-3-7)6-9-11-4-5-12-9/h7-9H,1-6,10H2
InChIKeyAEXIRQFLMAMYEB-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1,3-dioxolan-2-yl)ethanamine
CID 103543892
1,2-di(cyclobutyl)ethanamine
CID 65456758
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine?
The IUPAC name of 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine (CID 103544185) is 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine?
The canonical SMILES for 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine is NC(CC1OCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine?
The InChIKey is AEXIRQFLMAMYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8(7-2-1-3-7)6-9-11-4-5-12-9/h7-9H,1-6,10H2.
What are the key properties of 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine?
1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine has a molecular weight of 171.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine is sourced from PubChem (CID 103544185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).