(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine

C9H17NO2 — CID 82776626

IUPAC(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1(C2CC2)OCC(CN)O1
InChIInChI=1S/C9H17NO2/c1-2-9(7-3-4-7)11-6-8(5-10)12-9/h7-8H,2-6,10H2,1H3
InChIKeyCJKMPZXTOMGYMA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.88
Rot. Bonds3

About (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine

(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 82776626) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID82776626
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1(C2CC2)OCC(CN)O1
InChIInChI=1S/C9H17NO2/c1-2-9(7-3-4-7)11-6-8(5-10)12-9/h7-8H,2-6,10H2,1H3
InChIKeyCJKMPZXTOMGYMA-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

[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine
CID 82777145
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
(5-cyclopropyl-5-ethyloxolan-2-yl)methanamine
CID 130583613
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
CID 130511719
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
CID 82777122
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine
CID 82775424
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
CID 106664582
[2-methyl-2-(2,3,5,6-tetramethylphenyl)-1,3-dioxolan-4-yl]methanamine
CID 82119208

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine (CID 82776626) is (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine is CCC1(C2CC2)OCC(CN)O1.
What is the InChIKey of (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is CJKMPZXTOMGYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(7-3-4-7)11-6-8(5-10)12-9/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine?
(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine 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 (2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 82776626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).